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3AO4

Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase

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 CD A 1001
ChainResidue
ACYS65
AHIS67
AGLU92
ACD1002
BASP131

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CD A 1002
ChainResidue
AASP116
ACL501
ACD1001
AHOH6
AHOH19
ACYS65
AGLU92

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
ACYS65
AASP116
AASN120
ACD1002

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 752
ChainResidue
AHOH33
ALYS71
AHIS171
ALEU172

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 753
ChainResidue
ATHR66
AHIS67
ALYS159
BARG127
BLYS188

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 833 A 1
ChainResidue
ATYR83
AASN184
AHIS185
AGLY197
AGLU198
AHOH217
BGLY106
BARG107
BTRP108
BPRO109
BILE204
BASP207

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD B 1003
ChainResidue
AASP131
BCYS65
BHIS67
BGLU92
BCD1004

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CD B 1004
ChainResidue
BHOH31
BHOH45
BCYS65
BGLU92
BASP116
BCL502
BCD1003

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BCYS65
BGLU92
BASP116
BASN120
BCD1004

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 751
ChainResidue
BHOH25
BLYS71
BARG166
BGLU170
BHIS171
BLEU172

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 833 B 1
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
AILE204
AASP207
BTYR83
BASN184
BHIS185
BGLY197
BGLU198
BVAL201

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PDB entries from 2025-12-17

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