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3EKP

Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
C0004190molecular_functionaspartic-type endopeptidase activity
C0006508biological_processproteolysis
D0004190molecular_functionaspartic-type endopeptidase activity
D0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 501
ChainResidue
AARG14
AGLY16
AGLY17
APRO63
AHOH665
DMET46

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 601
ChainResidue
AGLY68
ATHR12
AGLU65
ACYS67

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 602
ChainResidue
AALA71
AILE72
AGLN92
CARG8

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 603
ChainResidue
AARG8
AHOH668

site_idAC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 478 B 200
ChainResidue
AASP25
AGLY27
AALA28
AASP30
AVAL32
AGLY49
AILE50
AILE84
BASP25
BGLY27
BALA28
BASP30
BVAL32
BVAL48
BGLY49
BILE50
BPRO81
BHOH666
BHOH670

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 B 502
ChainResidue
BLYS7
BARG8
BHOH658

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
BARG14
BGLY16
BGLY17
BPRO63
BHOH620

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PO4 B 505
ChainResidue
BTHR12
BILE13
BARG14
BLEU19
BGLU65
BILE66
BCYS67
BGLY68

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 604
ChainResidue
BTHR91
BGLN92
BHOH628
DGLU34
DALA82
DASN83

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 605
ChainResidue
BALA71
BILE72
BGLN92
BHOH643
DARG8

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 606
ChainResidue
BGLY73
BTHR74
BASN88

site_idBC3
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 478 C 200
ChainResidue
CASP25
CGLY27
CALA28
CASP30
CVAL32
CVAL48
CGLY49
CILE50
CPRO81
CILE84
CHOH683
DASP25
DGLY27
DALA28
DASP30
DVAL32
DVAL48
DGLY49
DILE50
DILE84

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT C 601
ChainResidue
CTHR12
CILE13
CARG14
CGLU65
CCYS67
CGLY68

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 603
ChainResidue
ATHR91
AGLN92
CGLU34
CALA82
CASN83

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT C 604
ChainResidue
CPRO81
AGLY68
AHIS69
ALYS70

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT C 605
ChainResidue
CLYS7
CARG8
CHOH624

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT D 602
ChainResidue
DTHR12
DGLU65
DILE66
DCYS67
DGLY68

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT D 606
ChainResidue
DILE72
DGLY73
DTHR74
DASN88

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
ChainResidueDetails
AALA22-LEU33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues276
DetailsDomain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues40
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues4
DetailsActive site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25
BTHR26

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
CASP25
CTHR26

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
DASP25
DTHR26

site_idCSA5
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
CASP25

site_idCSA8
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
DASP25

251174

PDB entries from 2026-03-25

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