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3FX5

Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography

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 Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 901
ChainResidue
ALYS45
AMET46
APHE53
AHOH324
BGLN161
BHOH306
BHOH313
BHOH509

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE KNI B 900
ChainResidue
AASP25
AGLY27
AALA28
AGLY48
AGLY49
AILE50
APRO81
AILE84
AHOH301
AHOH608
BASP125
BGLY127
BALA128
BASP129
BASP130
BVAL132
BGLY148
BGLY149
BILE150
BPRO181
BILE184
BHOH560
BHOH566
BHOH607
AARG8

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 902
ChainResidue
AGLN18
AMET36
ASER37
BTHR112
BGLU165
BILE166
BALA167
BGLY168
BHOH559

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 903
ChainResidue
AHOH771
BGLU135
BLYS155
BARG157
BVAL177
BGLY178
BHOH528
BHOH675

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
BASP125

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
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 2024-07-17

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