ID 4K4QA STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 4K4Q DE HIV-1 protease OS Human immunodeficiency virus 1 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.800 CC R-Factor 0.197 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 6 FT #SUB 2 2 GLN A 96 96 THR B Protein S 3 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 4 FT #SUB 3 3 ILE A 97 97 LEU B Protein A 8 FT #SUB 3 3 ILE A 99 99 PHE B Protein S 1 FT #SUB 4 4 THR A 96 96 THR 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 A 7 FT #SUB 5 5 LEU A 90 90 LEU B Protein S 1 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 2 FT #SUB 6 6 ALA A 87 87 ARG B Protein B 2 FT #SUB 6 6 ALA A 91 91 THR B Protein B 2 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 7 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 1 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 2 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 1 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 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 10 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 1 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 50 50 ILE A 49 49 GLY B Protein B 3 FT #SUB 50 50 ILE A 50 50 ILE B Protein B 2 FT #SUB 50 50 ILE A 51 51 GLY B Protein B 4 FT #SUB 50 50 ILE A 52 52 GLY B Protein B 2 FT #SUB 50 50 ILE A 54 54 ILE B Protein S 3 FT #SUB 50 50 ILE A 80 80 THR B Protein S 2 FT #SUB 51 51 GLY A 51 51 GLY B Protein B 8 FT #SUB 51 51 GLY A 52 52 GLY B Protein B 1 FT #SUB 51 51 GLY A 53 53 PHE B Protein B 1 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 4 FT #SUB 54 54 ILE A 50 50 ILE B Protein S 4 FT #SUB 67 67 CYS A 99 99 PHE B Protein S 3 FT #SUB 69 69 HIS A 99 99 PHE B Protein S 6 FT #SUB 80 80 THR A 50 50 ILE B Protein S 2 FT #SUB 87 87 ARG A 5 5 LEU B Protein S 7 FT #SUB 87 87 ARG A 6 6 ALA B Protein S 2 FT #SUB 87 87 ARG A 7 7 LYS B Protein S 8 FT #SUB 87 87 ARG A 8 8 ARG B Protein S 9 FT #SUB 87 87 ARG A 9 9 PRO B Protein S 1 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 4 FT #SUB 91 91 THR A 6 6 ALA B Protein S 2 FT #SUB 93 93 ILE A 99 99 PHE B Protein B 1 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 3 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 B 2 FT #SUB 95 95 CYS A 99 99 PHE B Protein B 2 FT #SUB 96 96 THR A 2 2 GLN B Protein S 5 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 7 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 5 FT #SUB 97 97 LEU A 24 24 LEU B Protein S 2 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 2 FT #SUB 98 98 ASN A 96 96 THR B Protein B 4 FT #SUB 98 98 ASN A 98 98 ASN B Protein S 5 FT #SUB 99 99 PHE A 1 1 PRO B Protein A 9 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 67 67 CYS B Protein S 3 FT #SUB 99 99 PHE A 69 69 HIS B Protein A 5 FT #SUB 99 99 PHE A 93 93 ILE B Protein S 1 FT #SUB 99 99 PHE A 94 94 GLY B Protein A 3 FT #SUB 99 99 PHE A 95 95 CYS B Protein S 3 FT #HET 8 8 ARG A 8 108 3TL A S 3 FT #HET 11 11 VAL A 3 103 BME A A 3 FT #HET 12 12 THR A 3 103 BME A A 5 FT #HET 12 12 THR A 7 107 NO3 A B 4 FT #HET 13 13 ILE A 7 107 NO3 A B 3 FT #HET 14 14 LYS A 6 106 NO3 A S 3 FT #HET 14 14 LYS A 7 107 NO3 A B 1 FT #HET 17 17 GLY A 6 106 NO3 A B 4 FT #HET 19 19 LEU A 7 107 NO3 A S 1 FT #HET 25 25 ASP A 8 108 3TL A S 9 FT #HET 27 27 GLY A 8 108 3TL A B 7 FT #HET 28 28 ALA A 8 108 3TL A A 3 FT #HET 29 29 ASP A 8 108 3TL A A 13 FT #HET 30 30 ASP A 5 105 NO3 A S 8 FT #HET 30 30 ASP A 8 108 3TL A S 2 FT #HET 32 32 VAL A 8 108 3TL A S 1 FT #HET 42 42 TRP A 1 101 NO3 A S 6 FT #HET 45 45 LYS A 5 105 NO3 A S 2 FT #HET 45 45 LYS A 8 108 3TL A S 1 FT #HET 46 46 MET A 8 108 3TL A B 5 FT #HET 47 47 ILE A 8 108 3TL A A 4 FT #HET 48 48 GLY A 8 108 3TL A B 11 FT #HET 48 48 GLY A 11 103 06B B B 3 FT #HET 49 49 GLY A 8 108 3TL A B 8 FT #HET 50 50 ILE A 8 108 3TL A A 11 FT #HET 53 53 PHE A 2 102 NO3 A B 1 FT #HET 53 53 PHE A 4 104 DMS A A 6 FT #HET 53 53 PHE A 8 108 3TL A S 1 FT #HET 53 53 PHE A 12 104 06B B S 4 FT #HET 54 54 ILE A 2 102 NO3 A A 7 FT #HET 55 55 LYS A 2 102 NO3 A A 4 FT #HET 57 57 ARG A 1 101 NO3 A S 12 FT #HET 59 59 TYR A 1 101 NO3 A S 1 FT #HET 65 65 GLU A 7 107 NO3 A A 8 FT #HET 66 66 ILE A 7 107 NO3 A B 2 FT #HET 67 67 CYS A 3 103 BME A S 4 FT #HET 67 67 CYS A 7 107 NO3 A B 5 FT #HET 68 68 GLY A 7 107 NO3 A B 3 FT #HET 74 74 THR A 5 105 NO3 A S 6 FT #HET 76 76 LEU A 5 105 NO3 A S 3 FT #HET 81 81 PRO A 8 108 3TL A S 5 FT #HET 82 82 VAL A 8 108 3TL A S 4 FT #HET 84 84 ILE A 8 108 3TL A S 2 CC SEQUENCE 99 AA (ATOM); CC PQITLAKRPL VTIKIGGQLK EALLDTGADD TVLEEMNLPG RWKPKMIGGI GGFIKVRQYD CC QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGI CC ATOM PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGI CC ************************************************** CC SEQRES GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLAKRPL VTIKIGGQLK EALLDTGADD TVLEEMNLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF // ID 4K4QB STANDARD; PRT; 99 AA. DT CONVERTED FROM PDB (SEQRES) 4K4Q DE HIV-1 protease OS Human immunodeficiency virus 1 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.800 CC R-Factor 0.197 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 9 FT #SUB 2 2 GLN B 96 96 THR A Protein S 5 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 5 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 2 FT #SUB 5 5 LEU B 87 87 ARG A Protein A 7 FT #SUB 5 5 LEU B 90 90 LEU A Protein S 2 FT #SUB 5 5 LEU B 91 91 THR A Protein A 4 FT #SUB 5 5 LEU B 95 95 CYS A Protein S 2 FT #SUB 6 6 ALA B 87 87 ARG A Protein B 2 FT #SUB 6 6 ALA B 91 91 THR A Protein B 2 FT #SUB 7 7 LYS B 87 87 ARG A Protein B 8 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 9 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 1 FT #SUB 24 24 LEU B 26 26 THR A Protein B 3 FT #SUB 24 24 LEU B 97 97 LEU A Protein A 2 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 1 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 10 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 1 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 10 FT #SUB 49 49 GLY B 50 50 ILE A Protein B 3 FT #SUB 50 50 ILE B 50 50 ILE A Protein B 2 FT #SUB 50 50 ILE B 54 54 ILE A Protein A 4 FT #SUB 50 50 ILE B 80 80 THR A Protein S 2 FT #SUB 51 51 GLY B 50 50 ILE A Protein B 4 FT #SUB 51 51 GLY B 51 51 GLY A Protein B 8 FT #SUB 51 51 GLY B 52 52 GLY A Protein B 4 FT #SUB 52 52 GLY B 50 50 ILE A Protein B 2 FT #SUB 52 52 GLY B 51 51 GLY A Protein B 1 FT #SUB 53 53 PHE B 51 51 GLY A Protein B 1 FT #SUB 54 54 ILE B 50 50 ILE A Protein S 3 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 5 FT #SUB 80 80 THR B 50 50 ILE A Protein S 2 FT #SUB 87 87 ARG B 5 5 LEU A Protein S 7 FT #SUB 87 87 ARG B 6 6 ALA 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 7 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 1 FT #SUB 91 91 THR B 5 5 LEU A Protein S 4 FT #SUB 91 91 THR B 6 6 ALA A Protein S 2 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 94 94 GLY B 99 99 PHE A Protein B 3 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 B 2 FT #SUB 95 95 CYS B 99 99 PHE A Protein A 3 FT #SUB 96 96 THR B 2 2 GLN A Protein S 3 FT #SUB 96 96 THR B 3 3 ILE A Protein A 4 FT #SUB 96 96 THR B 4 4 THR A Protein S 1 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 4 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 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 2 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 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 2 FT #SUB 98 98 ASN B 96 96 THR A Protein B 7 FT #SUB 98 98 ASN B 98 98 ASN A Protein S 5 FT #SUB 99 99 PHE B 1 1 PRO A Protein A 6 FT #SUB 99 99 PHE B 3 3 ILE A Protein S 1 FT #SUB 99 99 PHE B 24 24 LEU A Protein S 1 FT #SUB 99 99 PHE B 67 67 CYS A Protein S 3 FT #SUB 99 99 PHE B 69 69 HIS A Protein A 6 FT #SUB 99 99 PHE B 93 93 ILE A Protein S 1 FT #SUB 99 99 PHE B 94 94 GLY A Protein A 3 FT #SUB 99 99 PHE B 95 95 CYS A Protein S 2 FT #HET 8 8 ARG B 8 108 3TL A S 1 FT #HET 8 8 ARG B 11 103 06B B S 7 FT #HET 8 8 ARG B 12 104 06B B S 5 FT #HET 10 10 LEU B 13 105 DMS B B 2 FT #HET 11 11 VAL B 13 105 DMS B B 2 FT #HET 12 12 THR B 13 105 DMS B A 2 FT #HET 19 19 LEU B 9 101 NO3 B B 1 FT #HET 20 20 LYS B 9 101 NO3 B A 13 FT #HET 21 21 GLU B 9 101 NO3 B A 8 FT #HET 21 21 GLU B 13 105 DMS B S 3 FT #HET 25 25 ASP B 8 108 3TL A S 10 FT #HET 27 27 GLY B 8 108 3TL A B 11 FT #HET 28 28 ALA B 8 108 3TL A A 3 FT #HET 29 29 ASP B 8 108 3TL A A 9 FT #HET 30 30 ASP B 8 108 3TL A A 2 FT #HET 32 32 VAL B 8 108 3TL A S 1 FT #HET 34 34 GLU B 9 101 NO3 B S 1 FT #HET 44 44 PRO B 10 102 06B B A 5 FT #HET 45 45 LYS B 10 102 06B B B 3 FT #HET 48 48 GLY B 8 108 3TL A B 10 FT #HET 49 49 GLY B 8 108 3TL A B 7 FT #HET 50 50 ILE B 8 108 3TL A A 5 FT #HET 52 52 GLY B 8 108 3TL A B 2 FT #HET 55 55 LYS B 10 102 06B B S 17 FT #HET 56 56 VAL B 10 102 06B B B 3 FT #HET 57 57 ARG B 10 102 06B B S 1 FT #HET 80 80 THR B 8 108 3TL A S 1 FT #HET 81 81 PRO B 8 108 3TL A S 4 FT #HET 81 81 PRO B 11 103 06B B A 5 FT #HET 81 81 PRO B 12 104 06B B S 2 FT #HET 82 82 VAL B 8 108 3TL A S 1 FT #HET 83 83 ASN B 9 101 NO3 B S 3 FT #HET 84 84 ILE B 8 108 3TL A S 4 CC SEQUENCE 99 AA (ATOM); CC PQITLAKRPL VTIKIGGQLK EALLDTGADD TVLEEMNLPG RWKPKMIGGI GGFIKVRQYD CC QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGI CC ATOM PQITLAKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGI CC ************************************************** CC SEQRES GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ATOM GGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF CC ************************************************* SQ SEQUENCE 99 AA; MW; CN; PQITLAKRPL VTIKIGGQLK EALLDTGADD TVLEEMNLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF //