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4OVL

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 A 301
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS159
AHOH458
AHOH467

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 302
ChainResidue
AHOH431
AHOH469
ALYS71
AHIS171
ALEU172

site_idAC3
Number of Residues8
Detailsbinding site for residue ACY A 303
ChainResidue
ATYR99
ALYS103
AHOH433
AHOH468
BGLU87
BACY306
BHOH442
BHOH453

site_idAC4
Number of Residues9
Detailsbinding site for residue ACY A 304
ChainResidue
AASN184
AHIS185
AACY306
AHOH435
BALA105
BGLY106
BARG107
BTRP108
BPRO109

site_idAC5
Number of Residues6
Detailsbinding site for residue ACY A 305
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
ALEU104
AARG107

site_idAC6
Number of Residues7
Detailsbinding site for residue ACY A 306
ChainResidue
ATRP108
AGLY197
AVAL201
AACY304
BARG107
BTRP108
BPRO109

site_idAC7
Number of Residues8
Detailsbinding site for residue ACY A 307
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
BASN184
BHIS185
BACY307
BHOH438

site_idAC8
Number of Residues11
Detailsbinding site for residue 1TD A 308
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AHOH406
BGLN95
BLEU102
BTHR125
BALA128
BALA129
BTRP132

site_idAC9
Number of Residues5
Detailsbinding site for residue GOL A 309
ChainResidue
ASER123
ATHR124
ATHR125
AHOH461
BHOH406

site_idBC1
Number of Residues5
Detailsbinding site for residue SO4 B 301
ChainResidue
BTHR66
BHIS67
BLYS136
BLYS159
BHOH418

site_idBC2
Number of Residues4
Detailsbinding site for residue SO4 B 302
ChainResidue
BLYS71
BHIS171
BLEU172
BHOH436

site_idBC3
Number of Residues5
Detailsbinding site for residue SO4 B 303
ChainResidue
AARG107
BGLU85
BGLU87
BPHE100
BLYS103

site_idBC4
Number of Residues7
Detailsbinding site for residue SO4 B 304
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BEDO305
BHOH408
BHOH462

site_idBC5
Number of Residues6
Detailsbinding site for residue EDO B 305
ChainResidue
BSER119
BSER123
BSO4304
BHOH403
BHOH440
BHOH449

site_idBC6
Number of Residues8
Detailsbinding site for residue ACY B 306
ChainResidue
BHOH467
AGLU87
AACY303
AHOH428
AHOH452
BTYR99
BLYS103
BHOH433

site_idBC7
Number of Residues7
Detailsbinding site for residue ACY B 307
ChainResidue
AARG107
ATRP108
APRO109
AACY307
BTRP108
BGLY197
BVAL201

site_idBC8
Number of Residues10
Detailsbinding site for residue 1TD B 308
ChainResidue
AGLN95
ATHR125
AALA128
AALA129
ATRP132
BALA169
BGLU170
BHIS171
BTHR174
BHOH411

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

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PDB entries from 2024-07-24

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