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4CJL

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0015074biological_processDNA integration
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ALYS71
AHIS171
ALEU172
AHOH2008
AHOH2053

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AHOH2025
AHOH2040
AGLY94
ASER123
ATHR124
ATHR125

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1213
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159
AHOH2047
AHOH2061

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1214
ChainResidue
ATRP108
APRO109

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1215
ChainResidue
ATYR99
ALYS103
AHOH2016
AHOH2017
AHOH2062

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 9PA A 1216
ChainResidue
AGLN95
ATYR99
AALA129
AASP167
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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