ID 3EM4A STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3EM4 DE Protease OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.183 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 96 96 THR B Protein S 5 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 6 FT #SUB 3 3 ILE A 96 96 THR B Protein B 5 FT #SUB 3 3 ILE A 97 97 LEU B Protein A 8 FT #SUB 5 5 LEU A 26 26 THR B Protein S 3 FT #SUB 5 5 LEU A 87 87 ARG B Protein A 7 FT #SUB 5 5 LEU A 91 91 THR B Protein A 4 FT #SUB 5 5 LEU A 95 95 CYS B Protein S 3 FT #SUB 6 6 TRP A 87 87 ARG B Protein B 2 FT #SUB 6 6 TRP A 91 91 THR B Protein A 4 FT #SUB 7 7 LYS A 87 87 ARG B Protein B 9 FT #SUB 8 8 ARG A 29 29 ASP B Protein S 7 FT #SUB 8 8 ARG A 87 87 ARG B Protein A 9 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 9 9 PRO A 97 97 LEU 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 A 3 FT #SUB 24 24 LEU A 99 99 PHE 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 5 FT #SUB 26 26 THR A 5 5 LEU B Protein S 3 FT #SUB 26 26 THR A 9 9 PRO B Protein B 2 FT #SUB 26 26 THR A 24 24 LEU B Protein A 5 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 8 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 3 FT #SUB 29 29 ASP A 8 8 ARG B Protein S 9 FT #SUB 47 47 ILE A 50 50 LEU B Protein B 2 FT #SUB 50 50 LEU A 49 49 GLY B Protein B 3 FT #SUB 50 50 LEU A 50 50 LEU B Protein B 1 FT #SUB 50 50 LEU A 51 51 GLY B Protein B 1 FT #SUB 50 50 LEU A 52 52 GLY B Protein B 1 FT #SUB 50 50 LEU A 54 54 ILE B Protein S 1 FT #SUB 50 50 LEU A 80 80 THR B Protein S 3 FT #SUB 50 50 LEU A 81 81 PRO B Protein S 1 FT #SUB 51 51 GLY A 51 51 GLY B Protein B 5 FT #SUB 51 51 GLY A 52 52 GLY B Protein B 1 FT #SUB 51 51 GLY A 54 54 ILE B Protein B 1 FT #SUB 52 52 GLY A 51 51 GLY B Protein B 4 FT #SUB 54 54 ILE A 50 50 LEU B Protein S 4 FT #SUB 69 69 HIS A 99 99 PHE B Protein S 3 FT #SUB 80 80 THR A 50 50 LEU B Protein S 2 FT #SUB 81 81 PRO A 49 49 GLY B Protein S 1 FT #SUB 87 87 ARG A 5 5 LEU B Protein S 9 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 8 FT #SUB 90 90 LEU A 5 5 LEU B Protein S 2 FT #SUB 91 91 THR A 5 5 LEU B Protein S 2 FT #SUB 91 91 THR A 6 6 TRP B Protein S 6 FT #SUB 93 93 ILE A 99 99 PHE B Protein B 2 FT #SUB 94 94 GLY A 98 98 ASN B Protein B 1 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 4 FT #SUB 95 95 CYS A 99 99 PHE B Protein A 3 FT #SUB 96 96 THR A 3 3 ILE B Protein A 4 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 10 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 9 FT #SUB 97 97 LEU A 9 9 PRO B Protein S 1 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 B 2 FT #SUB 98 98 ASN A 1 1 PRO B Protein A 3 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 A 9 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 24 24 LEU B Protein S 1 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 35 35 GLU A 2 2 GLN U Protein S 1 FT #SUB 55 55 LYS A 2 2 GLN U Protein B 1 FT #SUB 79 79 PRO A 2 2 GLN U Protein S 4 FT #SUB 79 79 PRO A 4 4 THR U Protein A 4 FT #SUB 81 81 PRO A 6 6 TRP U Protein A 6 FT #HET 7 7 LYS A 2 502 PO4 A A 7 FT #HET 8 8 ARG A 1 100 DR7 A S 5 FT #HET 8 8 ARG A 2 502 PO4 A A 8 FT #HET 25 25 ASP A 1 100 DR7 A S 6 FT #HET 27 27 GLY A 1 100 DR7 A B 11 FT #HET 28 28 ALA A 1 100 DR7 A A 6 FT #HET 29 29 ASP A 1 100 DR7 A A 7 FT #HET 29 29 ASP A 4 504 PO4 B S 1 FT #HET 30 30 ASP A 1 100 DR7 A B 2 FT #HET 47 47 ILE A 1 100 DR7 A S 1 FT #HET 48 48 GLY A 1 100 DR7 A B 8 FT #HET 49 49 GLY A 1 100 DR7 A B 5 FT #HET 50 50 LEU A 1 100 DR7 A A 6 FT #HET 81 81 PRO A 1 100 DR7 A S 2 FT #HET 82 82 VAL A 1 100 DR7 A S 5 FT #HET 84 84 ILE A 1 100 DR7 A S 2 FT #HET 87 87 ARG A 4 504 PO4 B S 2 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3EM4B STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3EM4 DE Protease OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.183 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 3 FT #SUB 1 1 PRO B 99 99 PHE A Protein A 13 FT #SUB 2 2 GLN B 97 97 LEU A Protein B 2 FT #SUB 2 2 GLN B 98 98 ASN A Protein A 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 9 FT #SUB 3 3 ILE B 99 99 PHE A Protein S 1 FT #SUB 5 5 LEU B 26 26 THR A Protein S 3 FT #SUB 5 5 LEU B 87 87 ARG A Protein A 9 FT #SUB 5 5 LEU B 90 90 LEU A Protein S 2 FT #SUB 5 5 LEU B 91 91 THR A Protein B 2 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 A 6 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 9 FT #SUB 8 8 ARG B 87 87 ARG A Protein A 8 FT #SUB 9 9 PRO B 26 26 THR A Protein S 2 FT #SUB 9 9 PRO B 97 97 LEU 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 5 FT #SUB 24 24 LEU B 97 97 LEU A Protein S 1 FT #SUB 24 24 LEU B 99 99 PHE 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 3 FT #SUB 26 26 THR B 5 5 LEU A Protein S 3 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 8 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 5 FT #SUB 29 29 ASP B 8 8 ARG A Protein S 7 FT #SUB 49 49 GLY B 50 50 LEU A Protein B 3 FT #SUB 49 49 GLY B 81 81 PRO A Protein B 1 FT #SUB 50 50 LEU B 47 47 ILE A Protein S 2 FT #SUB 50 50 LEU B 50 50 LEU A Protein B 1 FT #SUB 50 50 LEU B 54 54 ILE A Protein A 4 FT #SUB 50 50 LEU B 80 80 THR A Protein S 2 FT #SUB 51 51 GLY B 50 50 LEU A Protein B 1 FT #SUB 51 51 GLY B 51 51 GLY A Protein B 5 FT #SUB 51 51 GLY B 52 52 GLY A Protein B 4 FT #SUB 52 52 GLY B 50 50 LEU A Protein B 1 FT #SUB 52 52 GLY B 51 51 GLY A Protein B 1 FT #SUB 54 54 ILE B 50 50 LEU A Protein S 1 FT #SUB 54 54 ILE B 51 51 GLY A Protein S 1 FT #SUB 69 69 HIS B 99 99 PHE A Protein S 2 FT #SUB 80 80 THR B 50 50 LEU A Protein A 3 FT #SUB 81 81 PRO B 50 50 LEU A Protein S 1 FT #SUB 87 87 ARG B 5 5 LEU A Protein S 7 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 9 FT #SUB 87 87 ARG B 8 8 ARG A Protein S 9 FT #SUB 87 87 ARG B 9 9 PRO A Protein S 1 FT #SUB 91 91 THR B 5 5 LEU A Protein S 4 FT #SUB 91 91 THR B 6 6 TRP A Protein S 4 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 3 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 A 2 FT #SUB 96 96 THR B 2 2 GLN A Protein S 5 FT #SUB 96 96 THR B 3 3 ILE A Protein A 5 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 2 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 A 8 FT #SUB 97 97 LEU B 9 9 PRO A Protein S 1 FT #SUB 97 97 LEU B 24 24 LEU A Protein S 3 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 98 98 ASN B 1 1 PRO A Protein B 2 FT #SUB 98 98 ASN B 2 2 GLN A Protein S 6 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 4 FT #SUB 98 98 ASN B 96 96 THR A Protein A 10 FT #SUB 98 98 ASN B 98 98 ASN A Protein S 9 FT #SUB 99 99 PHE B 1 1 PRO A Protein A 8 FT #SUB 99 99 PHE B 24 24 LEU A Protein S 1 FT #SUB 99 99 PHE B 69 69 HIS A Protein A 3 FT #SUB 99 99 PHE B 93 93 ILE A Protein A 2 FT #SUB 99 99 PHE B 95 95 CYS A Protein S 3 FT #SUB 53 53 PHE B 6 6 TRP U Protein S 3 FT #SUB 46 46 MET B 70 70 LYS V Protein S 2 FT #SUB 46 46 MET B 72 72 ILE V Protein S 4 FT #SUB 46 46 MET B 92 92 GLN V Protein S 3 FT #SUB 53 53 PHE B 91 91 THR V Protein S 2 FT #SUB 53 53 PHE B 92 92 GLN V Protein A 12 FT #HET 7 7 LYS B 4 504 PO4 B A 3 FT #HET 8 8 ARG B 1 100 DR7 A S 1 FT #HET 8 8 ARG B 4 504 PO4 B A 11 FT #HET 14 14 ARG B 3 501 PO4 B S 3 FT #HET 16 16 GLY B 3 501 PO4 B B 4 FT #HET 17 17 GLY B 3 501 PO4 B B 1 FT #HET 25 25 ASP B 1 100 DR7 A S 8 FT #HET 27 27 GLY B 1 100 DR7 A B 4 FT #HET 28 28 ALA B 1 100 DR7 A A 4 FT #HET 29 29 ASP B 1 100 DR7 A A 7 FT #HET 30 30 ASP B 1 100 DR7 A B 1 FT #HET 48 48 GLY B 1 100 DR7 A B 9 FT #HET 49 49 GLY B 1 100 DR7 A B 5 FT #HET 50 50 LEU B 1 100 DR7 A A 2 FT #HET 63 63 PRO B 3 501 PO4 B S 1 FT #HET 73 73 GLY B 5 505 PO4 B B 2 FT #HET 74 74 THR B 5 505 PO4 B A 8 FT #HET 81 81 PRO B 1 100 DR7 A S 1 FT #HET 82 82 VAL B 1 100 DR7 A S 3 FT #HET 84 84 ILE B 1 100 DR7 A S 1 FT #HET 87 87 ARG B 2 502 PO4 A S 3 FT #HET 88 88 ASN B 5 505 PO4 B S 4 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3EM4U STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3EM4 DE Protease OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.183 FT #SUB 2 2 GLN U 35 35 GLU A Protein B 1 FT #SUB 2 2 GLN U 55 55 LYS A Protein S 1 FT #SUB 2 2 GLN U 79 79 PRO A Protein S 4 FT #SUB 4 4 THR U 79 79 PRO A Protein S 4 FT #SUB 6 6 TRP U 81 81 PRO A Protein S 6 FT #SUB 6 6 TRP U 53 53 PHE B Protein S 3 FT #SUB 1 1 PRO U 97 97 LEU V Protein B 1 FT #SUB 1 1 PRO U 98 98 ASN V Protein B 2 FT #SUB 1 1 PRO U 99 99 PHE V Protein A 9 FT #SUB 2 2 GLN U 96 96 THR V Protein S 1 FT #SUB 2 2 GLN U 97 97 LEU V Protein B 2 FT #SUB 2 2 GLN U 98 98 ASN V Protein S 8 FT #SUB 3 3 ILE U 96 96 THR V Protein B 4 FT #SUB 3 3 ILE U 97 97 LEU V Protein A 9 FT #SUB 3 3 ILE U 99 99 PHE V Protein S 2 FT #SUB 5 5 LEU U 26 26 THR V Protein S 3 FT #SUB 5 5 LEU U 87 87 ARG V Protein A 9 FT #SUB 5 5 LEU U 90 90 LEU V Protein S 1 FT #SUB 5 5 LEU U 91 91 THR V Protein B 2 FT #SUB 5 5 LEU U 95 95 CYS V Protein S 2 FT #SUB 6 6 TRP U 87 87 ARG V Protein B 2 FT #SUB 6 6 TRP U 91 91 THR V Protein A 6 FT #SUB 7 7 LYS U 87 87 ARG V Protein B 7 FT #SUB 8 8 ARG U 29 29 ASP V Protein S 9 FT #SUB 8 8 ARG U 87 87 ARG V Protein A 7 FT #SUB 9 9 PRO U 26 26 THR V Protein S 2 FT #SUB 9 9 PRO U 87 87 ARG V Protein S 1 FT #SUB 9 9 PRO U 97 97 LEU V Protein S 1 FT #SUB 23 23 LEU U 27 27 GLY V Protein S 2 FT #SUB 24 24 LEU U 26 26 THR V Protein B 3 FT #SUB 24 24 LEU U 97 97 LEU V Protein S 1 FT #SUB 24 24 LEU U 99 99 PHE V Protein S 1 FT #SUB 25 25 ASP U 25 25 ASP V Protein S 3 FT #SUB 25 25 ASP U 26 26 THR V Protein B 3 FT #SUB 25 25 ASP U 27 27 GLY V Protein S 4 FT #SUB 26 26 THR U 5 5 LEU V Protein S 3 FT #SUB 26 26 THR U 9 9 PRO V Protein B 2 FT #SUB 26 26 THR U 24 24 LEU V Protein S 3 FT #SUB 26 26 THR U 25 25 ASP V Protein S 3 FT #SUB 26 26 THR U 26 26 THR V Protein A 8 FT #SUB 26 26 THR U 97 97 LEU V Protein S 1 FT #SUB 27 27 GLY U 23 23 LEU V Protein B 2 FT #SUB 27 27 GLY U 25 25 ASP V Protein B 3 FT #SUB 29 29 ASP U 8 8 ARG V Protein S 10 FT #SUB 47 47 ILE U 50 50 LEU V Protein B 1 FT #SUB 48 48 GLY U 50 50 LEU V Protein B 1 FT #SUB 49 49 GLY U 50 50 LEU V Protein B 1 FT #SUB 50 50 LEU U 47 47 ILE V Protein S 1 FT #SUB 50 50 LEU U 49 49 GLY V Protein A 5 FT #SUB 50 50 LEU U 50 50 LEU V Protein B 2 FT #SUB 50 50 LEU U 51 51 GLY V Protein B 2 FT #SUB 50 50 LEU U 52 52 GLY V Protein B 2 FT #SUB 50 50 LEU U 54 54 ILE V Protein S 4 FT #SUB 50 50 LEU U 80 80 THR V Protein S 2 FT #SUB 51 51 GLY U 51 51 GLY V Protein B 6 FT #SUB 51 51 GLY U 52 52 GLY V Protein B 2 FT #SUB 51 51 GLY U 54 54 ILE V Protein B 1 FT #SUB 52 52 GLY U 51 51 GLY V Protein B 4 FT #SUB 54 54 ILE U 50 50 LEU V Protein S 3 FT #SUB 67 67 CYS U 99 99 PHE V Protein S 1 FT #SUB 69 69 HIS U 99 99 PHE V Protein S 1 FT #SUB 80 80 THR U 50 50 LEU V Protein S 1 FT #SUB 81 81 PRO U 49 49 GLY V Protein S 1 FT #SUB 81 81 PRO U 50 50 LEU V Protein S 3 FT #SUB 87 87 ARG U 5 5 LEU V Protein S 5 FT #SUB 87 87 ARG U 6 6 TRP V Protein S 2 FT #SUB 87 87 ARG U 7 7 LYS V Protein S 6 FT #SUB 87 87 ARG U 8 8 ARG V Protein S 8 FT #SUB 90 90 LEU U 5 5 LEU V Protein S 2 FT #SUB 91 91 THR U 5 5 LEU V Protein S 3 FT #SUB 91 91 THR U 6 6 TRP V Protein S 4 FT #SUB 93 93 ILE U 99 99 PHE V Protein B 1 FT #SUB 94 94 GLY U 98 98 ASN V Protein B 1 FT #SUB 94 94 GLY U 99 99 PHE V Protein B 2 FT #SUB 95 95 CYS U 5 5 LEU V Protein B 2 FT #SUB 95 95 CYS U 97 97 LEU V Protein S 1 FT #SUB 95 95 CYS U 98 98 ASN V Protein B 2 FT #SUB 95 95 CYS U 99 99 PHE V Protein B 1 FT #SUB 96 96 THR U 3 3 ILE V Protein A 4 FT #SUB 96 96 THR U 96 96 THR V Protein B 1 FT #SUB 96 96 THR U 97 97 LEU V Protein B 3 FT #SUB 96 96 THR U 98 98 ASN V Protein A 6 FT #SUB 97 97 LEU U 1 1 PRO V Protein B 1 FT #SUB 97 97 LEU U 2 2 GLN V Protein B 2 FT #SUB 97 97 LEU U 3 3 ILE V Protein B 8 FT #SUB 97 97 LEU U 24 24 LEU V Protein S 1 FT #SUB 97 97 LEU U 26 26 THR V Protein S 1 FT #SUB 97 97 LEU U 95 95 CYS V Protein S 1 FT #SUB 97 97 LEU U 96 96 THR V Protein A 3 FT #SUB 97 97 LEU U 97 97 LEU V Protein S 1 FT #SUB 98 98 ASN U 1 1 PRO V Protein B 2 FT #SUB 98 98 ASN U 2 2 GLN V Protein S 1 FT #SUB 98 98 ASN U 94 94 GLY V Protein B 1 FT #SUB 98 98 ASN U 95 95 CYS V Protein B 2 FT #SUB 98 98 ASN U 96 96 THR V Protein A 6 FT #SUB 98 98 ASN U 98 98 ASN V Protein S 7 FT #SUB 99 99 PHE U 1 1 PRO V Protein A 13 FT #SUB 99 99 PHE U 3 3 ILE V Protein S 1 FT #SUB 99 99 PHE U 67 67 CYS V Protein S 2 FT #SUB 99 99 PHE U 69 69 HIS V Protein A 5 FT #SUB 99 99 PHE U 93 93 ILE V Protein S 4 FT #SUB 99 99 PHE U 94 94 GLY V Protein S 2 FT #SUB 99 99 PHE U 95 95 CYS V Protein S 1 FT #HET 7 7 LYS U 6 503 PO4 U A 9 FT #HET 8 8 ARG U 6 503 PO4 U A 14 FT #HET 8 8 ARG U 7 100 DR7 V S 1 FT #HET 25 25 ASP U 7 100 DR7 V S 8 FT #HET 27 27 GLY U 7 100 DR7 V B 10 FT #HET 28 28 ALA U 7 100 DR7 V A 3 FT #HET 29 29 ASP U 7 100 DR7 V A 7 FT #HET 30 30 ASP U 7 100 DR7 V B 2 FT #HET 47 47 ILE U 7 100 DR7 V S 1 FT #HET 48 48 GLY U 7 100 DR7 V B 5 FT #HET 49 49 GLY U 7 100 DR7 V B 7 FT #HET 50 50 LEU U 7 100 DR7 V A 4 FT #HET 81 81 PRO U 7 100 DR7 V S 4 FT #HET 82 82 VAL U 7 100 DR7 V S 2 FT #HET 84 84 ILE U 7 100 DR7 V S 2 FT #HET 87 87 ARG U 9 507 PO4 V S 1 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 3EM4V STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 3EM4 DE Protease OS HIV-1 M:B_ARV2/SF2 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.183 FT #SUB 70 70 LYS V 46 46 MET B Protein B 2 FT #SUB 72 72 ILE V 46 46 MET B Protein A 4 FT #SUB 91 91 THR V 53 53 PHE B Protein B 2 FT #SUB 92 92 GLN V 46 46 MET B Protein S 3 FT #SUB 92 92 GLN V 53 53 PHE B Protein A 12 FT #SUB 1 1 PRO V 97 97 LEU U Protein B 1 FT #SUB 1 1 PRO V 98 98 ASN U Protein B 2 FT #SUB 1 1 PRO V 99 99 PHE U Protein A 13 FT #SUB 2 2 GLN V 97 97 LEU U Protein B 2 FT #SUB 2 2 GLN V 98 98 ASN U Protein S 1 FT #SUB 3 3 ILE V 96 96 THR U Protein B 4 FT #SUB 3 3 ILE V 97 97 LEU U Protein A 8 FT #SUB 3 3 ILE V 99 99 PHE U Protein S 1 FT #SUB 5 5 LEU V 26 26 THR U Protein S 3 FT #SUB 5 5 LEU V 87 87 ARG U Protein A 5 FT #SUB 5 5 LEU V 90 90 LEU U Protein S 2 FT #SUB 5 5 LEU V 91 91 THR U Protein A 3 FT #SUB 5 5 LEU V 95 95 CYS U Protein S 2 FT #SUB 6 6 TRP V 87 87 ARG U Protein B 2 FT #SUB 6 6 TRP V 91 91 THR U Protein A 4 FT #SUB 7 7 LYS V 87 87 ARG U Protein B 6 FT #SUB 8 8 ARG V 29 29 ASP U Protein S 10 FT #SUB 8 8 ARG V 87 87 ARG U Protein A 8 FT #SUB 9 9 PRO V 26 26 THR U Protein S 2 FT #SUB 23 23 LEU V 27 27 GLY U Protein S 2 FT #SUB 24 24 LEU V 26 26 THR U Protein B 3 FT #SUB 24 24 LEU V 97 97 LEU U Protein S 1 FT #SUB 25 25 ASP V 25 25 ASP U Protein S 3 FT #SUB 25 25 ASP V 26 26 THR U Protein B 3 FT #SUB 25 25 ASP V 27 27 GLY U Protein S 3 FT #SUB 26 26 THR V 5 5 LEU U Protein S 3 FT #SUB 26 26 THR V 9 9 PRO U Protein B 2 FT #SUB 26 26 THR V 24 24 LEU U Protein S 3 FT #SUB 26 26 THR V 25 25 ASP U Protein S 3 FT #SUB 26 26 THR V 26 26 THR U Protein A 8 FT #SUB 26 26 THR V 97 97 LEU U Protein S 1 FT #SUB 27 27 GLY V 23 23 LEU U Protein B 2 FT #SUB 27 27 GLY V 25 25 ASP U Protein B 4 FT #SUB 29 29 ASP V 8 8 ARG U Protein S 9 FT #SUB 47 47 ILE V 50 50 LEU U Protein B 1 FT #SUB 49 49 GLY V 50 50 LEU U Protein B 5 FT #SUB 49 49 GLY V 81 81 PRO U Protein B 1 FT #SUB 50 50 LEU V 47 47 ILE U Protein S 1 FT #SUB 50 50 LEU V 48 48 GLY U Protein S 1 FT #SUB 50 50 LEU V 49 49 GLY U Protein S 1 FT #SUB 50 50 LEU V 50 50 LEU U Protein B 2 FT #SUB 50 50 LEU V 54 54 ILE U Protein A 3 FT #SUB 50 50 LEU V 80 80 THR U Protein S 1 FT #SUB 50 50 LEU V 81 81 PRO U Protein B 3 FT #SUB 51 51 GLY V 50 50 LEU U Protein B 2 FT #SUB 51 51 GLY V 51 51 GLY U Protein B 6 FT #SUB 51 51 GLY V 52 52 GLY U Protein B 4 FT #SUB 52 52 GLY V 50 50 LEU U Protein B 2 FT #SUB 52 52 GLY V 51 51 GLY U Protein B 2 FT #SUB 54 54 ILE V 50 50 LEU U Protein S 4 FT #SUB 54 54 ILE V 51 51 GLY U Protein S 1 FT #SUB 67 67 CYS V 99 99 PHE U Protein S 2 FT #SUB 69 69 HIS V 99 99 PHE U Protein S 5 FT #SUB 80 80 THR V 50 50 LEU U Protein S 2 FT #SUB 87 87 ARG V 5 5 LEU U Protein S 9 FT #SUB 87 87 ARG V 6 6 TRP U Protein S 2 FT #SUB 87 87 ARG V 7 7 LYS U Protein S 7 FT #SUB 87 87 ARG V 8 8 ARG U Protein S 7 FT #SUB 87 87 ARG V 9 9 PRO U Protein S 1 FT #SUB 90 90 LEU V 5 5 LEU U Protein S 1 FT #SUB 91 91 THR V 5 5 LEU U Protein S 2 FT #SUB 91 91 THR V 6 6 TRP U Protein S 6 FT #SUB 93 93 ILE V 99 99 PHE U Protein A 4 FT #SUB 94 94 GLY V 98 98 ASN U Protein B 1 FT #SUB 94 94 GLY V 99 99 PHE U Protein B 2 FT #SUB 95 95 CYS V 5 5 LEU U Protein B 2 FT #SUB 95 95 CYS V 97 97 LEU U Protein S 1 FT #SUB 95 95 CYS V 98 98 ASN U Protein B 2 FT #SUB 95 95 CYS V 99 99 PHE U Protein B 1 FT #SUB 96 96 THR V 2 2 GLN U Protein S 1 FT #SUB 96 96 THR V 3 3 ILE U Protein A 4 FT #SUB 96 96 THR V 96 96 THR U Protein B 1 FT #SUB 96 96 THR V 97 97 LEU U Protein B 3 FT #SUB 96 96 THR V 98 98 ASN U Protein A 6 FT #SUB 97 97 LEU V 1 1 PRO U Protein B 1 FT #SUB 97 97 LEU V 2 2 GLN U Protein B 2 FT #SUB 97 97 LEU V 3 3 ILE U Protein B 9 FT #SUB 97 97 LEU V 9 9 PRO U Protein S 1 FT #SUB 97 97 LEU V 24 24 LEU U Protein S 1 FT #SUB 97 97 LEU V 26 26 THR U Protein S 1 FT #SUB 97 97 LEU V 95 95 CYS U Protein S 1 FT #SUB 97 97 LEU V 96 96 THR U Protein A 3 FT #SUB 97 97 LEU V 97 97 LEU U Protein S 1 FT #SUB 98 98 ASN V 1 1 PRO U Protein B 2 FT #SUB 98 98 ASN V 2 2 GLN U Protein S 8 FT #SUB 98 98 ASN V 94 94 GLY U Protein B 1 FT #SUB 98 98 ASN V 95 95 CYS U Protein B 2 FT #SUB 98 98 ASN V 96 96 THR U Protein B 6 FT #SUB 98 98 ASN V 98 98 ASN U Protein S 7 FT #SUB 99 99 PHE V 1 1 PRO U Protein A 9 FT #SUB 99 99 PHE V 3 3 ILE U Protein S 2 FT #SUB 99 99 PHE V 24 24 LEU U Protein S 1 FT #SUB 99 99 PHE V 67 67 CYS U Protein S 1 FT #SUB 99 99 PHE V 69 69 HIS U Protein S 1 FT #SUB 99 99 PHE V 93 93 ILE U Protein S 1 FT #SUB 99 99 PHE V 94 94 GLY U Protein A 2 FT #SUB 99 99 PHE V 95 95 CYS U Protein S 1 FT #HET 7 7 LYS V 9 507 PO4 V A 5 FT #HET 8 8 ARG V 7 100 DR7 V S 1 FT #HET 8 8 ARG V 9 507 PO4 V A 14 FT #HET 25 25 ASP V 7 100 DR7 V S 8 FT #HET 27 27 GLY V 7 100 DR7 V B 9 FT #HET 28 28 ALA V 7 100 DR7 V B 3 FT #HET 29 29 ASP V 7 100 DR7 V A 8 FT #HET 30 30 ASP V 7 100 DR7 V B 1 FT #HET 47 47 ILE V 7 100 DR7 V S 1 FT #HET 48 48 GLY V 7 100 DR7 V B 15 FT #HET 49 49 GLY V 7 100 DR7 V B 6 FT #HET 50 50 LEU V 7 100 DR7 V A 4 FT #HET 73 73 GLY V 8 506 PO4 V B 2 FT #HET 74 74 THR V 8 506 PO4 V A 10 FT #HET 81 81 PRO V 7 100 DR7 V S 2 FT #HET 82 82 VAL V 7 100 DR7 V S 2 FT #HET 84 84 ILE V 7 100 DR7 V S 2 FT #HET 87 87 ARG V 6 503 PO4 U S 1 FT #HET 88 88 ASN V 8 506 PO4 V A 9 FT #HET 89 89 LEU V 8 506 PO4 V S 1 FT #HET 92 92 GLN V 8 506 PO4 V S 2 CC SEQUENCE 99 AA (ATOM); CC PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD CC QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ATOM PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGL CC ************************************************** CC SEQRES GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQIPVEICGHKVIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLWKRPL VTIRIGGQLK EALLDTGADD TVLEEMNLPG KWKPKMIGGL GGFIKVRQYD QIPVEICGHK VIGTVLVGPT PVNIIGRNLL TQIGCTLNF //