eF-site ID 3ekq-A PDB Code 3ekq Chain A click to enlarge Title Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper) Classification HYDROLASE/HYDROLASE INHIBITOR Compound Protease Source Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) (HIV-1) (POL_HV1A2) Sequence A:  PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPG KWKPKMIVGIGGFVKVRQYDQIPIEICGHKAIGTVLVGPT PTNIIGRNLLTQIGCTLNF Description Functional site 1) chain A residue 25 type sequence D description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 2) chain A residue 27 type sequence G description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 3) chain A residue 28 type sequence A description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 4) chain A residue 29 type sequence D description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 5) chain A residue 30 type sequence D description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 6) chain A residue 48 type sequence V description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 7) chain A residue 49 type sequence G description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 8) chain A residue 50 type sequence I description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 9) chain A residue 80 type sequence T description BINDING SITE FOR RESIDUE ROC A 100 source : AC1 10) chain A residue 7 type sequence K description BINDING SITE FOR RESIDUE PO4 A 502 source : AC2 11) chain A residue 8 type sequence R description BINDING SITE FOR RESIDUE PO4 A 502 source : AC2 12) chain A residue 25 type ACT_SITE sequence D description For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094 source Swiss-Prot : SWS_FT_FI1 13) chain A residue 22-33 type prosite sequence ALLDTGADDTVL description ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL source prosite : PS00141 14) chain A residue 99 type SITE sequence F description Cleavage; by viral protease => ECO:0000250 source Swiss-Prot : SWS_FT_FI2

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