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4CJ3

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0015074biological_processDNA integration
B0003676molecular_functionnucleic acid binding
B0015074biological_processDNA integration
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1210
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159
BHOH2044

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1210
ChainResidue
ALYS159
AHOH2056
ATHR66
AHIS67
ALYS111

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BLYS71
BARG166
BHIS171
BLEU172
BHOH2053

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ALYS71
AARG166
AHIS171
ALEU172
AHOH2070

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AGLY94
ASER123
ATHR124
ATHR125
AHOH2026
AHOH2049
AHOH2081
BLYS186

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
ALYS186
BGLY94
BSER123
BTHR124
BTHR125
BHOH2022
BHOH2037

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1213
ChainResidue
AARG107
BGLU85
BPHE100
BLYS103

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1213
ChainResidue
AGLU85
AALA86
APHE100
ALYS103
BARG107

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1214
ChainResidue
AHOH2016
AHOH2017
AHOH2071
BTYR99
BLYS103
BACT1215

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1215
ChainResidue
ATYR99
ALYS103
AHOH2032
BLYS103
BACT1214
BHOH2011

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE E4F A 1214
ChainResidue
AGLU170
AHIS171
ATHR174
AMET178
AHOH2067
AHOH2069
BGLN95
BTYR99
BALA129

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE E4F B 1216
ChainResidue
AGLN95
ATYR99
AALA129
AHOH2028
BGLU170
BHIS171
BTHR174
BMET178

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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