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2J9K

Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101

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 Residues26
DetailsBINDING SITE FOR RESIDUE 2NC A 0
ChainResidue
AARG8
AILE50
AVAL82
AHOH2011
AHOH2028
AHOH2031
AHOH2079
AHOH2080
AHOH2081
BARG8
BASP25
AASP25
BGLY27
BALA28
BASP29
BASP30
BGLY48
BGLY49
BVAL82
AGLY27
AALA28
AASP29
AASP30
AILE47
AGLY48
AGLY49

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1105
ChainResidue
APRO1
AARG57
AHIS69
AHOH2058
BHOH2073

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1106
ChainResidue
AGLY73
ATHR74
AASN88
AHOH2029
AHOH2070

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 1107
ChainResidue
ALYS7
AARG8
AHOH2010

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 1108
ChainResidue
ALYS55
AARG57
AGLY68
AHOH2038
AHOH2052
AHOH2056

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1109
ChainResidue
APHE99
AHOH2060
AHOH2078
BNLE46
BPHE53
BLYS55
BHIS69
BSO41107

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1110
ChainResidue
AVAL11
ATHR12
ASLZ41
ATRP42

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 1105
ChainResidue
AARG14
AHOH2016
BARG14
BGLY17
BPRO63
BHOH2055
BHOH2075
BHOH2076

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1106
ChainResidue
AHIS69
ALYS70
AHOH2060
BPRO1
BLYS55
BSO41107

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1107
ChainResidue
AHIS69
AGOL1109
AHOH2059
BPRO1
BHIS69
BSO41106
BHOH2074

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1108
ChainResidue
BGLY73
BTHR74
BASN88
BGLN92
BHOH2062
BHOH2066

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE ACT B 1109
ChainResidue
BARG8

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 1110
ChainResidue
ALYS55
ALYS70
BLYS70

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

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PDB entries from 2024-06-12

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