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2J9J

Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor JG-365

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 A 1105
ChainResidue
APRO1
AASN37
AARG57
AHIS69
AHOH2119
BHOH2102

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1106
ChainResidue
AHOH2121
AHOH2122
BARG14
BGLY17
BPRO63
AARG14
AHOH2033
AHOH2120

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1107
ChainResidue
APHE99
AHOH2088
AHOH2123
BNLE46
BPHE53
BLYS55
BHIS69

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1108
ChainResidue
ATHR12
ASLZ41
ATRP42
AABA67
AHOH2124
AHOH2125

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1105
ChainResidue
AGLY68
AHIS69
ALYS70
AHOH2088
BPRO1
BLYS55
BHOH2109

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1106
ChainResidue
ALYS55
ALYS70
BARG14
BLYS70
BHOH2110
BHOH2112

site_idAC7
Number of Residues24
DetailsBINDING SITE FOR CHAIN C OF INHIBITOR MOLECULE JG365
ChainResidue
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
ALYS45
AILE47
AGLY48
AGLY49
AILE50
AILE84
AHOH2046
AHOH2064
BASP25
BGLY27
BALA28
BASP29
BGLY48
BGLY49
BVAL82
BILE84
BHOH2066
BHOH2106

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI
ChainResidueDetails
AALA22-ILE33
BALA22-ILE33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
BASP25

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
BPHE99

221051

PDB entries from 2024-06-12

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