2024-03-02_00000342|ligand|8VB1

Crystal structure of HIV-1 protease with GS-9770; X-ray diffraction 1.30Å
Protein #1 99 residues (100% resolved)

PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGMTLNF

PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGMTLNF
Non polymer #2 A1AAD

InChI=1S/C35H34ClF7N10O3/c1-32(2,35(41,42)43)16-34(20-6-3-18(4-7-20)24-14-46-53(50-24)21-8-9-21)28(54)51(30(44)48-34)25(15-56-31(55)49-33(11-12-33)27(37)38)19-5-10-23(36)22(13-19)26-45-17-47-52(26)29(39)40/h3-7,10,13-14,17,21,25,27,29H,8-9,11-12,15-16H2,1-2H3,(H2,44,48)(H,49,55)/t25-,34-/m1/s1

[H]/N=C1/N[C@](C(=O)N1[C@H](COC(=O)NC2(CC2)C(F)F)c3ccc(c(c3)c4ncnn4C(F)F)Cl)(CC(C)(C)C(F)(F)F)c5ccc(cc5)c6cnn(n6)C7CC7
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Reference