ID 3OXXB STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3OXX DE HIV-1 PROTEASE OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.175 FT #SUB 1 1 PRO B 97 97 LEU A Protein B 1 FT #SUB 1 1 PRO B 98 98 ASN A Protein B 2 FT #SUB 1 1 PRO B 99 99 PHE A Protein A 13 FT #SUB 2 2 GLN B 96 96 THR A Protein S 6 FT #SUB 2 2 GLN B 97 97 LEU A Protein B 2 FT #SUB 2 2 GLN B 98 98 ASN A Protein S 5 FT #SUB 3 3 ILE B 96 96 THR A Protein B 4 FT #SUB 3 3 ILE B 97 97 LEU A Protein A 7 FT #SUB 3 3 ILE B 99 99 PHE A Protein S 1 FT #SUB 4 4 THR B 96 96 THR A Protein S 1 FT #SUB 5 5 LEU B 26 26 THR A Protein S 2 FT #SUB 5 5 LEU B 87 87 ARG A Protein B 6 FT #SUB 5 5 LEU B 91 91 THR A Protein A 3 FT #SUB 5 5 LEU B 95 95 CYS A Protein S 2 FT #SUB 6 6 TRP B 87 87 ARG A Protein B 2 FT #SUB 6 6 TRP B 91 91 THR A Protein B 2 FT #SUB 7 7 LYS B 87 87 ARG A Protein B 9 FT #SUB 8 8 ARG B 29 29 ASP A Protein S 10 FT #SUB 8 8 ARG B 87 87 ARG A Protein A 7 FT #SUB 9 9 PRO B 26 26 THR A Protein S 2 FT #SUB 9 9 PRO B 87 87 ARG A Protein S 1 FT #SUB 23 23 LEU B 27 27 GLY A Protein S 2 FT #SUB 24 24 LEU B 26 26 THR A Protein B 3 FT #SUB 24 24 LEU B 97 97 LEU A Protein S 1 FT #SUB 25 25 ASP B 25 25 ASP A Protein S 3 FT #SUB 25 25 ASP B 26 26 THR A Protein B 3 FT #SUB 25 25 ASP B 27 27 GLY A Protein S 4 FT #SUB 26 26 THR B 5 5 LEU A Protein S 2 FT #SUB 26 26 THR B 9 9 PRO A Protein B 2 FT #SUB 26 26 THR B 24 24 LEU A Protein S 3 FT #SUB 26 26 THR B 25 25 ASP A Protein S 3 FT #SUB 26 26 THR B 26 26 THR A Protein A 9 FT #SUB 26 26 THR B 97 97 LEU A Protein S 1 FT #SUB 27 27 GLY B 23 23 LEU A Protein B 2 FT #SUB 27 27 GLY B 25 25 ASP A Protein B 4 FT #SUB 29 29 ASP B 8 8 ARG A Protein S 10 FT #SUB 49 49 GLY B 50 50 VAL A Protein B 5 FT #SUB 49 49 GLY B 81 81 PRO A Protein B 1 FT #SUB 50 50 VAL B 50 50 VAL A Protein B 1 FT #SUB 50 50 VAL B 54 54 ILE A Protein A 3 FT #SUB 50 50 VAL B 80 80 THR A Protein S 1 FT #SUB 50 50 VAL B 81 81 PRO A Protein B 2 FT #SUB 50 50 VAL B 84 84 ILE A Protein S 1 FT #SUB 51 51 GLY B 50 50 VAL A Protein B 2 FT #SUB 51 51 GLY B 51 51 GLY A Protein B 6 FT #SUB 51 51 GLY B 52 52 GLY A Protein B 3 FT #SUB 52 52 GLY B 50 50 VAL A Protein B 2 FT #SUB 52 52 GLY B 51 51 GLY A Protein B 3 FT #SUB 54 54 ILE B 50 50 VAL A Protein S 2 FT #SUB 54 54 ILE B 51 51 GLY A Protein S 2 FT #SUB 67 67 CYS B 99 99 PHE A Protein S 3 FT #SUB 69 69 HIS B 99 99 PHE A Protein S 2 FT #SUB 80 80 THR B 50 50 VAL A Protein S 1 FT #SUB 81 81 PRO B 49 49 GLY A Protein S 1 FT #SUB 87 87 ARG B 5 5 LEU A Protein S 6 FT #SUB 87 87 ARG B 6 6 TRP A Protein S 2 FT #SUB 87 87 ARG B 7 7 LYS A Protein S 8 FT #SUB 87 87 ARG B 8 8 ARG A Protein S 8 FT #SUB 87 87 ARG B 9 9 PRO A Protein S 1 FT #SUB 90 90 LEU B 5 5 LEU A Protein S 2 FT #SUB 91 91 THR B 5 5 LEU A Protein S 3 FT #SUB 91 91 THR B 6 6 TRP A Protein S 1 FT #SUB 93 93 ILE B 99 99 PHE A Protein B 1 FT #SUB 94 94 GLY B 98 98 ASN A Protein B 1 FT #SUB 95 95 CYS B 5 5 LEU A Protein B 2 FT #SUB 95 95 CYS B 97 97 LEU A Protein S 1 FT #SUB 95 95 CYS B 98 98 ASN A Protein A 3 FT #SUB 95 95 CYS B 99 99 PHE A Protein B 2 FT #SUB 96 96 THR B 3 3 ILE A Protein A 4 FT #SUB 96 96 THR B 96 96 THR A Protein B 1 FT #SUB 96 96 THR B 97 97 LEU A Protein B 3 FT #SUB 96 96 THR B 98 98 ASN A Protein A 7 FT #SUB 97 97 LEU B 1 1 PRO A Protein B 1 FT #SUB 97 97 LEU B 2 2 GLN A Protein B 2 FT #SUB 97 97 LEU B 3 3 ILE A Protein B 9 FT #SUB 97 97 LEU B 24 24 LEU A Protein S 1 FT #SUB 97 97 LEU B 26 26 THR A Protein S 1 FT #SUB 97 97 LEU B 95 95 CYS A Protein S 1 FT #SUB 97 97 LEU B 96 96 THR A Protein A 3 FT #SUB 97 97 LEU B 97 97 LEU A Protein S 1 FT #SUB 98 98 ASN B 1 1 PRO A Protein B 2 FT #SUB 98 98 ASN B 2 2 GLN A Protein S 5 FT #SUB 98 98 ASN B 94 94 GLY A Protein B 1 FT #SUB 98 98 ASN B 95 95 CYS A Protein B 3 FT #SUB 98 98 ASN B 96 96 THR A Protein A 6 FT #SUB 98 98 ASN B 98 98 ASN A Protein S 8 FT #SUB 99 99 PHE B 1 1 PRO A Protein A 8 FT #SUB 99 99 PHE B 3 3 ILE A Protein S 1 FT #SUB 99 99 PHE B 69 69 HIS A Protein S 1 FT #SUB 99 99 PHE B 93 93 ILE A Protein S 3 FT #SUB 99 99 PHE B 94 94 GLY A Protein A 2 FT #SUB 99 99 PHE B 95 95 CYS A Protein S 1 FT #SUB 70 70 LYS B 46 46 MET C Protein B 2 FT #SUB 71 71 VAL B 46 46 MET C Protein B 1 FT #SUB 72 72 ILE B 46 46 MET C Protein A 6 FT #SUB 72 72 ILE B 55 55 LYS C Protein S 2 FT #SUB 91 91 THR B 53 53 PHE C Protein B 2 FT #SUB 92 92 GLN B 46 46 MET C Protein S 2 FT #SUB 92 92 GLN B 52 52 GLY C Protein B 1 FT #SUB 92 92 GLN B 53 53 PHE C Protein B 8 FT #SUB 94 94 GLY B 51 51 GLY C Protein B 1 FT #SUB 94 94 GLY B 52 52 GLY C Protein B 1 FT #SUB 96 96 THR B 79 79 PRO D Protein S 1 FT #HET 5 5 LEU B 8 101 GOL A B 1 FT #HET 6 6 TRP B 8 101 GOL A A 7 FT #HET 6 6 TRP B 9 102 EDO A B 1 FT #HET 7 7 LYS B 9 102 EDO A A 5 FT #HET 8 8 ARG B 7 100 DR7 A S 1 FT #HET 8 8 ARG B 9 102 EDO A A 4 FT #HET 20 20 LYS B 4 103 ACT B A 4 FT #HET 21 21 GLU B 4 103 ACT B A 7 FT #HET 23 23 LEU B 7 100 DR7 A S 1 FT #HET 25 25 ASP B 7 100 DR7 A S 8 FT #HET 27 27 GLY B 7 100 DR7 A B 7 FT #HET 28 28 ALA B 7 100 DR7 A A 3 FT #HET 29 29 ASP B 1 100 GOL B S 1 FT #HET 29 29 ASP B 7 100 DR7 A A 7 FT #HET 30 30 ASP B 7 100 DR7 A B 1 FT #HET 35 35 GLU B 2 101 GOL B B 1 FT #HET 35 35 GLU B 5 104 ACT B S 3 FT #HET 36 36 MET B 2 101 GOL B A 5 FT #HET 37 37 ASN B 2 101 GOL B A 6 FT #HET 47 47 ILE B 7 100 DR7 A S 1 FT #HET 48 48 GLY B 7 100 DR7 A B 9 FT #HET 49 49 GLY B 7 100 DR7 A B 5 FT #HET 50 50 VAL B 7 100 DR7 A A 3 FT #HET 68 68 GLY B 3 102 EDO B B 1 FT #HET 69 69 HIS B 3 102 EDO B A 4 FT #HET 70 70 LYS B 3 102 EDO B A 12 FT #HET 73 73 GLY B 6 105 ACT B B 2 FT #HET 74 74 THR B 6 105 ACT B A 6 FT #HET 81 81 PRO B 7 100 DR7 A S 1 FT #HET 82 82 VAL B 7 100 DR7 A S 4 FT #HET 83 83 ASN B 4 103 ACT B S 1 FT #HET 84 84 ILE B 7 100 DR7 A S 2 FT #HET 87 87 ARG B 1 100 GOL B S 10 FT #HET 88 88 ASN B 6 105 ACT B S 3 FT #HET 94 94 GLY B 12 102 GOL C B 6 FT #HET 95 95 CYS B 12 102 GOL C B 1 FT #HET 96 96 THR B 12 102 GOL C S 1 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3OXXA STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3OXX DE HIV-1 PROTEASE OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.175 FT #SUB 1 1 PRO A 97 97 LEU B Protein B 1 FT #SUB 1 1 PRO A 98 98 ASN B Protein B 2 FT #SUB 1 1 PRO A 99 99 PHE B Protein A 8 FT #SUB 2 2 GLN A 97 97 LEU B Protein B 2 FT #SUB 2 2 GLN A 98 98 ASN B Protein A 5 FT #SUB 3 3 ILE A 96 96 THR B Protein B 4 FT #SUB 3 3 ILE A 97 97 LEU B Protein A 9 FT #SUB 3 3 ILE A 99 99 PHE B Protein S 1 FT #SUB 5 5 LEU A 26 26 THR B Protein S 2 FT #SUB 5 5 LEU A 87 87 ARG B Protein B 6 FT #SUB 5 5 LEU A 90 90 LEU B Protein S 2 FT #SUB 5 5 LEU A 91 91 THR B Protein A 3 FT #SUB 5 5 LEU A 95 95 CYS B Protein S 2 FT #SUB 6 6 TRP A 87 87 ARG B Protein B 2 FT #SUB 6 6 TRP A 91 91 THR B Protein B 1 FT #SUB 7 7 LYS A 87 87 ARG B Protein B 8 FT #SUB 8 8 ARG A 29 29 ASP B Protein S 10 FT #SUB 8 8 ARG A 87 87 ARG B Protein A 8 FT #SUB 9 9 PRO A 26 26 THR B Protein S 2 FT #SUB 9 9 PRO A 87 87 ARG B Protein S 1 FT #SUB 23 23 LEU A 27 27 GLY B Protein S 2 FT #SUB 24 24 LEU A 26 26 THR B Protein B 3 FT #SUB 24 24 LEU A 97 97 LEU B Protein S 1 FT #SUB 25 25 ASP A 25 25 ASP B Protein S 3 FT #SUB 25 25 ASP A 26 26 THR B Protein B 3 FT #SUB 25 25 ASP A 27 27 GLY B Protein S 4 FT #SUB 26 26 THR A 5 5 LEU B Protein S 2 FT #SUB 26 26 THR A 9 9 PRO B Protein B 2 FT #SUB 26 26 THR A 24 24 LEU B Protein S 3 FT #SUB 26 26 THR A 25 25 ASP B Protein S 3 FT #SUB 26 26 THR A 26 26 THR B Protein A 9 FT #SUB 26 26 THR A 97 97 LEU B Protein S 1 FT #SUB 27 27 GLY A 23 23 LEU B Protein B 2 FT #SUB 27 27 GLY A 25 25 ASP B Protein B 4 FT #SUB 29 29 ASP A 8 8 ARG B Protein S 10 FT #SUB 49 49 GLY A 81 81 PRO B Protein B 1 FT #SUB 50 50 VAL A 49 49 GLY B Protein A 5 FT #SUB 50 50 VAL A 50 50 VAL B Protein B 1 FT #SUB 50 50 VAL A 51 51 GLY B Protein B 2 FT #SUB 50 50 VAL A 52 52 GLY B Protein B 2 FT #SUB 50 50 VAL A 54 54 ILE B Protein S 2 FT #SUB 50 50 VAL A 80 80 THR B Protein S 1 FT #SUB 51 51 GLY A 51 51 GLY B Protein B 6 FT #SUB 51 51 GLY A 52 52 GLY B Protein B 3 FT #SUB 51 51 GLY A 54 54 ILE B Protein B 2 FT #SUB 52 52 GLY A 51 51 GLY B Protein B 3 FT #SUB 54 54 ILE A 50 50 VAL B Protein S 3 FT #SUB 69 69 HIS A 99 99 PHE B Protein S 1 FT #SUB 80 80 THR A 50 50 VAL B Protein S 1 FT #SUB 81 81 PRO A 49 49 GLY B Protein S 1 FT #SUB 81 81 PRO A 50 50 VAL B Protein S 2 FT #SUB 84 84 ILE A 50 50 VAL B Protein S 1 FT #SUB 87 87 ARG A 5 5 LEU B Protein S 6 FT #SUB 87 87 ARG A 6 6 TRP B Protein S 2 FT #SUB 87 87 ARG A 7 7 LYS B Protein S 9 FT #SUB 87 87 ARG A 8 8 ARG B Protein S 7 FT #SUB 87 87 ARG A 9 9 PRO B Protein S 1 FT #SUB 91 91 THR A 5 5 LEU B Protein S 3 FT #SUB 91 91 THR A 6 6 TRP B Protein S 2 FT #SUB 93 93 ILE A 99 99 PHE B Protein A 3 FT #SUB 94 94 GLY A 98 98 ASN B Protein B 1 FT #SUB 94 94 GLY A 99 99 PHE B Protein B 2 FT #SUB 95 95 CYS A 5 5 LEU B Protein B 2 FT #SUB 95 95 CYS A 97 97 LEU B Protein S 1 FT #SUB 95 95 CYS A 98 98 ASN B Protein A 3 FT #SUB 95 95 CYS A 99 99 PHE B Protein B 1 FT #SUB 96 96 THR A 2 2 GLN B Protein S 6 FT #SUB 96 96 THR A 3 3 ILE B Protein A 4 FT #SUB 96 96 THR A 4 4 THR B Protein S 1 FT #SUB 96 96 THR A 96 96 THR B Protein B 1 FT #SUB 96 96 THR A 97 97 LEU B Protein B 3 FT #SUB 96 96 THR A 98 98 ASN B Protein A 6 FT #SUB 97 97 LEU A 1 1 PRO B Protein B 1 FT #SUB 97 97 LEU A 2 2 GLN B Protein B 2 FT #SUB 97 97 LEU A 3 3 ILE B Protein B 7 FT #SUB 97 97 LEU A 24 24 LEU B Protein S 1 FT #SUB 97 97 LEU A 26 26 THR B Protein S 1 FT #SUB 97 97 LEU A 95 95 CYS B Protein S 1 FT #SUB 97 97 LEU A 96 96 THR B Protein A 3 FT #SUB 97 97 LEU A 97 97 LEU B Protein S 1 FT #SUB 98 98 ASN A 1 1 PRO B Protein B 2 FT #SUB 98 98 ASN A 2 2 GLN B Protein S 5 FT #SUB 98 98 ASN A 94 94 GLY B Protein B 1 FT #SUB 98 98 ASN A 95 95 CYS B Protein B 3 FT #SUB 98 98 ASN A 96 96 THR B Protein A 7 FT #SUB 98 98 ASN A 98 98 ASN B Protein S 8 FT #SUB 99 99 PHE A 1 1 PRO B Protein A 13 FT #SUB 99 99 PHE A 3 3 ILE B Protein S 1 FT #SUB 99 99 PHE A 67 67 CYS B Protein S 3 FT #SUB 99 99 PHE A 69 69 HIS B Protein S 2 FT #SUB 99 99 PHE A 93 93 ILE B Protein S 1 FT #SUB 99 99 PHE A 95 95 CYS B Protein S 2 FT #SUB 6 6 TRP A 53 53 PHE C Protein S 3 FT #SUB 2 2 GLN A 35 35 GLU D Protein B 1 FT #SUB 2 2 GLN A 55 55 LYS D Protein S 4 FT #SUB 2 2 GLN A 79 79 PRO D Protein S 5 FT #SUB 4 4 THR A 79 79 PRO D Protein S 4 FT #SUB 6 6 TRP A 81 81 PRO D Protein S 2 FT #HET 4 4 THR A 12 102 GOL C S 1 FT #HET 6 6 TRP A 1 100 GOL B B 4 FT #HET 6 6 TRP A 12 102 GOL C S 1 FT #HET 7 7 LYS A 1 100 GOL B A 4 FT #HET 8 8 ARG A 1 100 GOL B A 6 FT #HET 8 8 ARG A 7 100 DR7 A S 1 FT #HET 23 23 LEU A 7 100 DR7 A S 1 FT #HET 25 25 ASP A 7 100 DR7 A S 8 FT #HET 27 27 GLY A 7 100 DR7 A B 10 FT #HET 28 28 ALA A 7 100 DR7 A A 4 FT #HET 29 29 ASP A 7 100 DR7 A A 8 FT #HET 29 29 ASP A 8 101 GOL A A 4 FT #HET 30 30 ASP A 7 100 DR7 A B 1 FT #HET 32 32 VAL A 7 100 DR7 A S 1 FT #HET 47 47 ILE A 7 100 DR7 A S 1 FT #HET 48 48 GLY A 7 100 DR7 A B 5 FT #HET 49 49 GLY A 7 100 DR7 A B 3 FT #HET 50 50 VAL A 7 100 DR7 A A 5 FT #HET 81 81 PRO A 7 100 DR7 A S 2 FT #HET 82 82 VAL A 7 100 DR7 A S 1 FT #HET 84 84 ILE A 7 100 DR7 A S 2 FT #HET 87 87 ARG A 8 101 GOL A S 9 FT #HET 87 87 ARG A 9 102 EDO A S 4 FT #HET 88 88 ASN A 8 101 GOL A B 2 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3OXXC STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3OXX DE HIV-1 PROTEASE OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.175 FT #SUB 46 46 MET C 70 70 LYS B Protein S 2 FT #SUB 46 46 MET C 71 71 VAL B Protein S 1 FT #SUB 46 46 MET C 72 72 ILE B Protein S 6 FT #SUB 46 46 MET C 92 92 GLN B Protein S 2 FT #SUB 51 51 GLY C 94 94 GLY B Protein B 1 FT #SUB 52 52 GLY C 92 92 GLN B Protein B 1 FT #SUB 52 52 GLY C 94 94 GLY B Protein B 1 FT #SUB 53 53 PHE C 91 91 THR B Protein S 2 FT #SUB 53 53 PHE C 92 92 GLN B Protein A 8 FT #SUB 55 55 LYS C 72 72 ILE B Protein S 2 FT #SUB 53 53 PHE C 6 6 TRP A Protein S 3 FT #SUB 1 1 PRO C 98 98 ASN D Protein B 2 FT #SUB 1 1 PRO C 99 99 PHE D Protein A 13 FT #SUB 2 2 GLN C 96 96 THR D Protein S 2 FT #SUB 2 2 GLN C 97 97 LEU D Protein A 3 FT #SUB 2 2 GLN C 98 98 ASN D Protein S 3 FT #SUB 3 3 ILE C 96 96 THR D Protein B 3 FT #SUB 3 3 ILE C 97 97 LEU D Protein B 7 FT #SUB 3 3 ILE C 99 99 PHE D Protein S 1 FT #SUB 5 5 LEU C 26 26 THR D Protein S 2 FT #SUB 5 5 LEU C 87 87 ARG D Protein B 6 FT #SUB 5 5 LEU C 91 91 THR D Protein A 3 FT #SUB 5 5 LEU C 95 95 CYS D Protein S 3 FT #SUB 6 6 TRP C 87 87 ARG D Protein B 2 FT #SUB 6 6 TRP C 91 91 THR D Protein A 4 FT #SUB 7 7 LYS C 87 87 ARG D Protein B 8 FT #SUB 8 8 ARG C 29 29 ASP D Protein S 10 FT #SUB 8 8 ARG C 87 87 ARG D Protein A 6 FT #SUB 9 9 PRO C 26 26 THR D Protein S 2 FT #SUB 9 9 PRO C 87 87 ARG D Protein S 1 FT #SUB 23 23 LEU C 27 27 GLY D Protein S 2 FT #SUB 24 24 LEU C 26 26 THR D Protein B 3 FT #SUB 25 25 ASP C 25 25 ASP D Protein S 3 FT #SUB 25 25 ASP C 26 26 THR D Protein B 3 FT #SUB 25 25 ASP C 27 27 GLY D Protein S 4 FT #SUB 26 26 THR C 5 5 LEU D Protein S 3 FT #SUB 26 26 THR C 9 9 PRO D Protein B 2 FT #SUB 26 26 THR C 24 24 LEU D Protein S 3 FT #SUB 26 26 THR C 25 25 ASP D Protein S 3 FT #SUB 26 26 THR C 26 26 THR D Protein A 9 FT #SUB 26 26 THR C 97 97 LEU D Protein S 1 FT #SUB 27 27 GLY C 23 23 LEU D Protein B 2 FT #SUB 27 27 GLY C 25 25 ASP D Protein B 4 FT #SUB 29 29 ASP C 8 8 ARG D Protein S 10 FT #SUB 48 48 GLY C 50 50 VAL D Protein B 1 FT #SUB 49 49 GLY C 50 50 VAL D Protein B 2 FT #SUB 50 50 VAL C 49 49 GLY D Protein A 4 FT #SUB 50 50 VAL C 50 50 VAL D Protein B 1 FT #SUB 50 50 VAL C 51 51 GLY D Protein B 3 FT #SUB 50 50 VAL C 52 52 GLY D Protein B 2 FT #SUB 50 50 VAL C 54 54 ILE D Protein S 2 FT #SUB 50 50 VAL C 80 80 THR D Protein S 1 FT #SUB 51 51 GLY C 51 51 GLY D Protein B 7 FT #SUB 51 51 GLY C 52 52 GLY D Protein B 1 FT #SUB 51 51 GLY C 54 54 ILE D Protein B 1 FT #SUB 52 52 GLY C 51 51 GLY D Protein B 3 FT #SUB 54 54 ILE C 50 50 VAL D Protein S 1 FT #SUB 81 81 PRO C 49 49 GLY D Protein S 1 FT #SUB 81 81 PRO C 50 50 VAL D Protein S 2 FT #SUB 87 87 ARG C 5 5 LEU D Protein S 5 FT #SUB 87 87 ARG C 6 6 TRP D Protein S 2 FT #SUB 87 87 ARG C 7 7 LYS D Protein S 9 FT #SUB 87 87 ARG C 8 8 ARG D Protein S 7 FT #SUB 87 87 ARG C 9 9 PRO D Protein S 1 FT #SUB 90 90 LEU C 5 5 LEU D Protein S 1 FT #SUB 91 91 THR C 5 5 LEU D Protein S 2 FT #SUB 91 91 THR C 6 6 TRP D Protein S 3 FT #SUB 93 93 ILE C 99 99 PHE D Protein B 2 FT #SUB 94 94 GLY C 98 98 ASN D Protein B 1 FT #SUB 94 94 GLY C 99 99 PHE D Protein B 3 FT #SUB 95 95 CYS C 5 5 LEU D Protein A 4 FT #SUB 95 95 CYS C 97 97 LEU D Protein S 1 FT #SUB 95 95 CYS C 98 98 ASN D Protein B 2 FT #SUB 95 95 CYS C 99 99 PHE D Protein B 2 FT #SUB 96 96 THR C 2 2 GLN D Protein S 6 FT #SUB 96 96 THR C 3 3 ILE D Protein A 3 FT #SUB 96 96 THR C 96 96 THR D Protein B 1 FT #SUB 96 96 THR C 97 97 LEU D Protein B 2 FT #SUB 96 96 THR C 98 98 ASN D Protein A 6 FT #SUB 97 97 LEU C 1 1 PRO D Protein B 1 FT #SUB 97 97 LEU C 2 2 GLN D Protein B 2 FT #SUB 97 97 LEU C 3 3 ILE D Protein A 8 FT #SUB 97 97 LEU C 26 26 THR D Protein S 1 FT #SUB 97 97 LEU C 95 95 CYS D Protein S 1 FT #SUB 97 97 LEU C 96 96 THR D Protein B 2 FT #SUB 97 97 LEU C 97 97 LEU D Protein S 1 FT #SUB 98 98 ASN C 1 1 PRO D Protein B 2 FT #SUB 98 98 ASN C 2 2 GLN D Protein S 6 FT #SUB 98 98 ASN C 94 94 GLY D Protein B 1 FT #SUB 98 98 ASN C 95 95 CYS D Protein B 2 FT #SUB 98 98 ASN C 96 96 THR D Protein A 7 FT #SUB 98 98 ASN C 98 98 ASN D Protein S 5 FT #SUB 99 99 PHE C 1 1 PRO D Protein A 10 FT #SUB 99 99 PHE C 3 3 ILE D Protein S 1 FT #SUB 99 99 PHE C 69 69 HIS D Protein B 1 FT #SUB 99 99 PHE C 93 93 ILE D Protein S 2 FT #SUB 99 99 PHE C 94 94 GLY D Protein A 3 FT #SUB 99 99 PHE C 95 95 CYS D Protein S 2 FT #HET 6 6 TRP C 13 103 ACT C B 1 FT #HET 6 6 TRP C 15 100 GOL D B 2 FT #HET 7 7 LYS C 13 103 ACT C A 3 FT #HET 8 8 ARG C 10 100 DR7 C S 1 FT #HET 8 8 ARG C 13 103 ACT C A 5 FT #HET 10 10 LEU C 11 101 GOL C B 1 FT #HET 11 11 VAL C 11 101 GOL C A 6 FT #HET 12 12 THR C 11 101 GOL C A 10 FT #HET 23 23 LEU C 10 100 DR7 C S 1 FT #HET 25 25 ASP C 10 100 DR7 C S 8 FT #HET 27 27 GLY C 10 100 DR7 C B 10 FT #HET 28 28 ALA C 10 100 DR7 C A 3 FT #HET 29 29 ASP C 10 100 DR7 C A 7 FT #HET 47 47 ILE C 10 100 DR7 C S 1 FT #HET 48 48 GLY C 10 100 DR7 C B 7 FT #HET 49 49 GLY C 10 100 DR7 C B 4 FT #HET 50 50 VAL C 10 100 DR7 C A 4 FT #HET 50 50 VAL C 12 102 GOL C B 2 FT #HET 51 51 GLY C 12 102 GOL C B 7 FT #HET 53 53 PHE C 3 102 EDO B B 2 FT #HET 67 67 CYS C 11 101 GOL C A 5 FT #HET 81 81 PRO C 10 100 DR7 C S 1 FT #HET 82 82 VAL C 10 100 DR7 C S 2 FT #HET 87 87 ARG C 18 103 EDO D S 3 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3OXXD STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3OXX DE HIV-1 PROTEASE OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.175 FT #SUB 79 79 PRO D 96 96 THR B Protein S 1 FT #SUB 35 35 GLU D 2 2 GLN A Protein S 1 FT #SUB 55 55 LYS D 2 2 GLN A Protein B 4 FT #SUB 79 79 PRO D 2 2 GLN A Protein S 5 FT #SUB 79 79 PRO D 4 4 THR A Protein A 4 FT #SUB 81 81 PRO D 6 6 TRP A Protein S 2 FT #SUB 1 1 PRO D 97 97 LEU C Protein B 1 FT #SUB 1 1 PRO D 98 98 ASN C Protein B 2 FT #SUB 1 1 PRO D 99 99 PHE C Protein A 10 FT #SUB 2 2 GLN D 96 96 THR C Protein S 6 FT #SUB 2 2 GLN D 97 97 LEU C Protein B 2 FT #SUB 2 2 GLN D 98 98 ASN C Protein A 6 FT #SUB 3 3 ILE D 96 96 THR C Protein B 3 FT #SUB 3 3 ILE D 97 97 LEU C Protein A 8 FT #SUB 3 3 ILE D 99 99 PHE C Protein S 1 FT #SUB 5 5 LEU D 26 26 THR C Protein S 3 FT #SUB 5 5 LEU D 87 87 ARG C Protein B 5 FT #SUB 5 5 LEU D 90 90 LEU C Protein S 1 FT #SUB 5 5 LEU D 91 91 THR C Protein B 2 FT #SUB 5 5 LEU D 95 95 CYS C Protein S 4 FT #SUB 6 6 TRP D 87 87 ARG C Protein B 2 FT #SUB 6 6 TRP D 91 91 THR C Protein A 3 FT #SUB 7 7 LYS D 87 87 ARG C Protein B 9 FT #SUB 8 8 ARG D 29 29 ASP C Protein S 10 FT #SUB 8 8 ARG D 87 87 ARG C Protein A 7 FT #SUB 9 9 PRO D 26 26 THR C Protein S 2 FT #SUB 9 9 PRO D 87 87 ARG C Protein S 1 FT #SUB 23 23 LEU D 27 27 GLY C Protein S 2 FT #SUB 24 24 LEU D 26 26 THR C Protein B 3 FT #SUB 25 25 ASP D 25 25 ASP C Protein S 3 FT #SUB 25 25 ASP D 26 26 THR C Protein B 3 FT #SUB 25 25 ASP D 27 27 GLY C Protein S 4 FT #SUB 26 26 THR D 5 5 LEU C Protein S 2 FT #SUB 26 26 THR D 9 9 PRO C Protein B 2 FT #SUB 26 26 THR D 24 24 LEU C Protein S 3 FT #SUB 26 26 THR D 25 25 ASP C Protein S 3 FT #SUB 26 26 THR D 26 26 THR C Protein A 9 FT #SUB 26 26 THR D 97 97 LEU C Protein S 1 FT #SUB 27 27 GLY D 23 23 LEU C Protein B 2 FT #SUB 27 27 GLY D 25 25 ASP C Protein B 4 FT #SUB 29 29 ASP D 8 8 ARG C Protein S 10 FT #SUB 49 49 GLY D 50 50 VAL C Protein B 4 FT #SUB 49 49 GLY D 81 81 PRO C Protein B 1 FT #SUB 50 50 VAL D 48 48 GLY C Protein S 1 FT #SUB 50 50 VAL D 49 49 GLY C Protein S 2 FT #SUB 50 50 VAL D 50 50 VAL C Protein B 1 FT #SUB 50 50 VAL D 54 54 ILE C Protein B 1 FT #SUB 50 50 VAL D 81 81 PRO C Protein B 2 FT #SUB 51 51 GLY D 50 50 VAL C Protein B 3 FT #SUB 51 51 GLY D 51 51 GLY C Protein B 7 FT #SUB 51 51 GLY D 52 52 GLY C Protein B 3 FT #SUB 52 52 GLY D 50 50 VAL C Protein B 2 FT #SUB 52 52 GLY D 51 51 GLY C Protein B 1 FT #SUB 54 54 ILE D 50 50 VAL C Protein S 2 FT #SUB 54 54 ILE D 51 51 GLY C Protein S 1 FT #SUB 69 69 HIS D 99 99 PHE C Protein S 1 FT #SUB 80 80 THR D 50 50 VAL C Protein S 1 FT #SUB 87 87 ARG D 5 5 LEU C Protein S 6 FT #SUB 87 87 ARG D 6 6 TRP C Protein S 2 FT #SUB 87 87 ARG D 7 7 LYS C Protein S 8 FT #SUB 87 87 ARG D 8 8 ARG C Protein S 6 FT #SUB 87 87 ARG D 9 9 PRO C Protein S 1 FT #SUB 91 91 THR D 5 5 LEU C Protein S 3 FT #SUB 91 91 THR D 6 6 TRP C Protein S 4 FT #SUB 93 93 ILE D 99 99 PHE C Protein A 2 FT #SUB 94 94 GLY D 98 98 ASN C Protein B 1 FT #SUB 94 94 GLY D 99 99 PHE C Protein B 3 FT #SUB 95 95 CYS D 5 5 LEU C Protein B 3 FT #SUB 95 95 CYS D 97 97 LEU C Protein S 1 FT #SUB 95 95 CYS D 98 98 ASN C Protein B 2 FT #SUB 95 95 CYS D 99 99 PHE C Protein B 2 FT #SUB 96 96 THR D 2 2 GLN C Protein S 2 FT #SUB 96 96 THR D 3 3 ILE C Protein A 3 FT #SUB 96 96 THR D 96 96 THR C Protein B 1 FT #SUB 96 96 THR D 97 97 LEU C Protein B 2 FT #SUB 96 96 THR D 98 98 ASN C Protein A 7 FT #SUB 97 97 LEU D 2 2 GLN C Protein B 3 FT #SUB 97 97 LEU D 3 3 ILE C Protein A 7 FT #SUB 97 97 LEU D 26 26 THR C Protein S 1 FT #SUB 97 97 LEU D 95 95 CYS C Protein S 1 FT #SUB 97 97 LEU D 96 96 THR C Protein B 2 FT #SUB 97 97 LEU D 97 97 LEU C Protein S 1 FT #SUB 98 98 ASN D 1 1 PRO C Protein B 2 FT #SUB 98 98 ASN D 2 2 GLN C Protein S 3 FT #SUB 98 98 ASN D 94 94 GLY C Protein B 1 FT #SUB 98 98 ASN D 95 95 CYS C Protein B 2 FT #SUB 98 98 ASN D 96 96 THR C Protein B 6 FT #SUB 98 98 ASN D 98 98 ASN C Protein S 5 FT #SUB 99 99 PHE D 1 1 PRO C Protein A 13 FT #SUB 99 99 PHE D 3 3 ILE C Protein S 1 FT #SUB 99 99 PHE D 93 93 ILE C Protein A 2 FT #SUB 99 99 PHE D 94 94 GLY C Protein A 3 FT #SUB 99 99 PHE D 95 95 CYS C Protein S 2 FT #HET 7 7 LYS D 18 103 EDO D A 5 FT #HET 8 8 ARG D 10 100 DR7 C S 1 FT #HET 8 8 ARG D 18 103 EDO D A 6 FT #HET 23 23 LEU D 10 100 DR7 C S 1 FT #HET 25 25 ASP D 10 100 DR7 C S 8 FT #HET 27 27 GLY D 10 100 DR7 C B 9 FT #HET 28 28 ALA D 10 100 DR7 C A 3 FT #HET 29 29 ASP D 10 100 DR7 C A 8 FT #HET 29 29 ASP D 15 100 GOL D A 5 FT #HET 30 30 ASP D 10 100 DR7 C B 1 FT #HET 35 35 GLU D 16 101 PO4 D B 1 FT #HET 36 36 MET D 16 101 PO4 D A 4 FT #HET 37 37 ASN D 16 101 PO4 D A 7 FT #HET 47 47 ILE D 10 100 DR7 C S 1 FT #HET 48 48 GLY D 10 100 DR7 C B 11 FT #HET 49 49 GLY D 10 100 DR7 C B 5 FT #HET 50 50 VAL D 10 100 DR7 C A 6 FT #HET 54 54 ILE D 12 102 GOL C S 2 FT #HET 73 73 GLY D 17 102 ACT D B 2 FT #HET 74 74 THR D 17 102 ACT D A 9 FT #HET 79 79 PRO D 12 102 GOL C B 4 FT #HET 81 81 PRO D 10 100 DR7 C S 2 FT #HET 81 81 PRO D 12 102 GOL C S 1 FT #HET 82 82 VAL D 10 100 DR7 C S 2 FT #HET 84 84 ILE D 10 100 DR7 C S 3 FT #HET 87 87 ARG D 13 103 ACT C S 4 FT #HET 87 87 ARG D 15 100 GOL D A 8 FT #HET 88 88 ASN D 15 100 GOL D A 4 FT #HET 88 88 ASN D 17 102 ACT D S 5 FT #HET 92 92 GLN D 17 102 ACT D S 1 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGV CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGV GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF //