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2FXE

X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632)

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 SO4 A 100
ChainResidue
APRO1
ALYS55
AHOH149
BGLY68
BHIS69
BLYS70
BHOH188

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 100
ChainResidue
BHIS69
BHOH165
BPRO1
BARG57

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 101
ChainResidue
ADR7102
BARG8
BHOH147
BHOH185

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 101
ChainResidue
ALYS14
AGLY16
AGLY17
AHOH116
AHOH153
AHOH210
BLYS14
BGLY17

site_idAC5
Number of Residues32
DetailsBINDING SITE FOR RESIDUE DR7 A 102
ChainResidue
ATRP6
AARG8
AASP25
AGLY27
AALA28
AASP29
AGLY48
AGLY49
AILE50
APHE53
APRO81
AVAL82
AILE84
AHOH105
AHOH173
AHOH174
AHOH207
BARG8
BASP25
BGLY27
BALA28
BASP29
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BILE84
BSO4101
BHOH130
BHOH156
BHOH161

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 102
ChainResidue
BVAL11
BTHR12
BLYS41
BTRP42
BALA67
BHOH201

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 103
ChainResidue
ALYS7
AARG8
AHOH123
AHOH192
BARG87

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 Residues4
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26
BASP25
BTHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
BASP25

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PDB entries from 2025-06-18

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