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2WHH

HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PPN A 2201
ChainResidue
AARG8
AHOH2174
AHOH2175
AHOH2183
AGLU2202
APPN2301
ALEU23
AASP25
APRO81
AVAL82
AGLY1027
AHOH2170
AHOH2172
AHOH2173

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GLU A 2202
ChainResidue
AGLY1027
AASP1029
AASP1030
AILE1047
AGLY1048
AHOH2174
AHOH2184
AHOH2185
AHOH2186
AHOH2187
APPN2201

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE PPN A 2301
ChainResidue
AGLY27
AARG1008
ALEU1023
AASP1025
APRO1081
AVAL1082
AILE1084
AHOH2170
AHOH2175
AHOH2180
AHOH2181
AHOH2182
AHOH2183
APPN2201
AGLU2302

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GLU A 2302
ChainResidue
AGLY27
AASP29
AASP30
AGLY48
AHOH2176
AHOH2177
AHOH2178
AHOH2179
AHOH2181
AHOH2182
APPN2301

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
ChainResidueDetails
AALA22-LEU33
AALA1022-LEU1033

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, ECO:0000305|PubMed:33542150
ChainResidueDetails
AASP25

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idMCSA1
Number of Residues3
DetailsM-CSA 175
ChainResidueDetails
AASP25hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ATHR26electrostatic stabiliser, transition state stabiliser
AGLY27electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-10-30

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