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3NF8

Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design

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 Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS159
AHOH250

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
AHOH27
ALYS71
AHIS171
ALEU172

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 5
ChainResidue
AGLY94
ASER123
ATHR124
ATHR125
AHOH239

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE CDQ A 225
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
AILE204
AASP207
AILE208
AHOH240
BHIS185
BSER195
BGLY197
BGLU198

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CDQ A 247
ChainResidue
AVAL79
AGLY82
AILE84
AVAL150
AMET154
AGLU157
AHIS183
AHOH237
AHOH248

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE CDQ A 267
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AMET178
BGLN95
BTYR99
BTHR125
BALA128
BTRP132

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE CDQ A 277
ChainResidue
AHIS185
ASER195
AGLY197
AGLU198
AHOH221
AHOH242
BGLY106
BARG107
BTRP108
BPRO109
BILE204
BASP207

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY A 1
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
ALEU104
BARG107
BHOH251

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS159
BHOH249

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BHOH28
BLYS71
BHIS171
BLEU172

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 6
ChainResidue
ALYS186
BHOH20
BGLY94
BSER123
BTHR124
BTHR125
BHOH234
BHOH241

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CDQ B 235
ChainResidue
AGLN95
ATYR99
ATHR125
AALA128
ATRP132
BALA169
BGLU170
BHIS171
BLYS173
BTHR174
BMET178

site_idBC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CDQ B 257
ChainResidue
BLEU158
BHIS183
BLYS188
BHOH238
BGLN62
BVAL79
BGLY82
BILE84
BVAL150
BMET154
BGLU157

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACY B 2
ChainResidue
AARG107
BGLU85
BGLU87
BPHE100
BLYS103

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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