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3EBZ

High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMD A 304
ChainResidue
AGLN2
APHE3
ALEU99
AZN403
ACL503
AHOH1011
AHOH1148

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IMD A 306
ChainResidue
AGLU63
AGLU65
AGLU65
AZN406
ATYR14
AGLY17

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 403
ChainResidue
ALYS7
ALEU99
AIMD304
ACL503
AHOH1009
AHOH1010
AHOH1011

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 405
ChainResidue
AASP79
AHOH1029
AHOH1030
BGLU137

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 406
ChainResidue
AGLU65
AGLU65
AIMD306
AHOH1007
AHOH1007

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL A 503
ChainResidue
ASER4
ALEU99
AIMD304
AZN403
AHOH1010
AHOH1011
AHOH1105

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA A 601
ChainResidue
AASN40
AASN41
APRO44
AHOH1067
AHOH1090
AHOH1109
BASN140

site_idAC8
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 017 B 201
ChainResidue
AASP25
AGLY27
AALA28
AASP30
AILE32
AGLY48
AGLY49
AILE82
AILE84
BASP125
BGLY127
BALA128
BASP129
BASP130
BGLY148
BGLY149
BILE150
BHOH1017

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMD B 301
ChainResidue
BGLU121
BILE146
BPHE153
BASN155
BASP179
BIMD302
BZN401

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IMD B 302
ChainResidue
BGLU121
BPHE153
BASP179
BIMD301
BZN401
BHOH1153

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE IMD B 303
ChainResidue
BASP130
BILE146
BMET176
BZN402
BZN409
BCL501
BCL502
BCL507

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMD B 305
ChainResidue
AARG8
APRO81
BTRP106
BZN404
BCL505
BCL506
BHOH1061

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 401
ChainResidue
BGLU121
BASP179
BIMD301
BIMD302

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 402
ChainResidue
BASP130
BIMD303
BZN409
BCL502
BHOH1002

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 404
ChainResidue
BCL505
BCL506
BHOH1004
BHOH1006
BIMD305

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 407
ChainResidue
BGLU165
BCL504
BHOH1003
BHOH1005
BHOH1008

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 408
ChainResidue
BGLU158
BCL507
BHOH1001
BHOH1170

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 409
ChainResidue
BASP130
BIMD303
BZN402
BCL508
BHOH1002

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 501
ChainResidue
BVAL111
BTHR112
BLYS145
BILE146
BIMD303
BHOH1050

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BLYS107
BGLY148
BIMD303
BZN402

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 504
ChainResidue
AGLY39
BGLY117
BZN407

site_idCC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 505
ChainResidue
BSER104
BLEU105
BTRP106
BLYS107
BIMD305
BZN404

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 506
ChainResidue
BIMD305
BZN404
BHOH1006
BHOH1112

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 507
ChainResidue
BLYS145
BGLU158
BIMD303
BZN408
BHOH1133

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 508
ChainResidue
BASP130
BZN409
BHOH1002

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VLLDTGADDSIV
ChainResidueDetails
AVAL22-VAL33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues138
DetailsDomain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
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
BTHR126
BASP125

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP125

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PDB entries from 2025-12-24

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