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3D1X

Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir

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 Residues4
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
ATHR74
AASN88
AHOH1131
BARG41

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 501
ChainResidue
AHOH1163
BTRP6
BLYS55

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 503
ChainResidue
BHOH1013
BHOH1144
BTHR74
BASN88

site_idAC4
Number of Residues32
DetailsBINDING SITE FOR RESIDUE ROC A 201
ChainResidue
ATRP6
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
AILE50
ATHR80
APRO81
AILE84
AGOL801
AHOH1005
AHOH1009
AHOH1228
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BILE84
BHOH1096
BHOH1117
BHOH1219

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 801
ChainResidue
AASP29
AASP30
AILE47
AGLY48
AROC201
AHOH1080
AHOH1086
AHOH1129
AHOH1232
BHOH1188

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI
ChainResidueDetails
AALA22-ILE33

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
AASP25
BASP25

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE99

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 Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25

237735

PDB entries from 2025-06-18

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