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3BXR

Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism

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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 601
ChainResidue
AGLY68
ALYS70
AHOH431
BPRO101
BLYS155
BHOH479

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 602
ChainResidue
AHOH386
BHOH380
APRO1
AARG57
AHIS69

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 603
ChainResidue
AARG14
AGLY17
AHOH378
AHOH463
BARG114
BILE115
BGLY116
BGLY117
BHOH319
BHOH430
BHOH478

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 604
ChainResidue
AMET36
AASN37
AHOH358
BPRO139
BGLY140

site_idAC5
Number of Residues25
DetailsBINDING SITE FOR RESIDUE DRR B 201
ChainResidue
AARG8
ALEU23
AGLY27
AALA28
AASP29
AILE47
AGLY48
AGLY49
AILE50
APRO81
AILE84
AHOH302
BARG108
BLEU123
BASN125
BGLY127
BALA128
BASP129
BGLY148
BGLY149
BILE150
BPRO181
BILE184
BHOH301
BHOH303

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASN25
BASN125

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE199

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASN25
ATHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BTHR126
BASN125

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASN25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASN125

237992

PDB entries from 2025-06-25

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