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4CHP

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
BHOH2032

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1210
ChainResidue
ALYS159
AHOH2041
ATHR66
AHIS67
ALYS111

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BLYS71
BHIS171
BLEU172
BHOH2008
BHOH2042

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ALYS71
AHIS171
ALEU172
AHOH2053

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
BSER123
BTHR124
BTHR125
BEDO1215
BHOH2028

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
ASER123
ATHR124
ATHR125
AHOH2021
AHOH2022
AHOH2037

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 1213
ChainResidue
AGLU85
APHE100
ALYS103
ALEU104

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1213
ChainResidue
AARG107
BGLU85
BPHE100
BLYS103
BLEU104

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1214
ChainResidue
AGLY106
AARG107
AEDO1215
BTYR83
BASN184
BHIS185

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1214
ChainResidue
AASN184
AHIS185
AHOH2063
BGLY106
BPRO109

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1215
ChainResidue
AARG187
BGLU92
BGLY94
BSO41212
BHOH2020

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1215
ChainResidue
AARG107
APRO109
AEDO1214
BGLY197
BGLU198
BVAL201

site_idBC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE IMV A 1216
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AHOH2065
AHOH2066
BGLN95
BTYR99
BLEU102
BTHR125
BALA128
BALA129
BTRP132

site_idBC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE IMV B 1216
ChainResidue
AGLN95
ATYR99
ALEU102
ATHR125
AALA128
AALA129
ATRP132
AHOH2023
AHOH2038
BALA169
BGLU170
BHIS171
BTHR174

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMV A 1217
ChainResidue
AVAL79
AGLY82
AILE84
AVAL150
AMET154
AGLU157
AHIS183

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMV B 1217
ChainResidue
BMET154
BGLU157
BHIS183
BVAL79
BGLY82
BILE84
BVAL150

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AASP64
AASP116
BASP64
BASP116

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P04585
ChainResidueDetails
AGLU152
BGLU152

224004

PDB entries from 2024-08-21

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