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3AO3

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
AHOH3
AHOH13
ACYS65
AGLU92

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
ACYS65
AGLU92
AASP116
AASN120
APHE121
ACD1002

site_idAC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE BMC A 1
ChainResidue
AHOH47
ATYR83
AASN184
AHIS185
AARG187
ASER195
AGLY197
AGLU198
AVAL201
BGLY106
BARG107
BTRP108
BPRO109
BILE204
BASP207
BILE208

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 213
ChainResidue
ACYS65
AHIS67
ALYS159
BARG127

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
AHOH34
ALYS71
AHIS171
ALEU172

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
AHOH19
AGLY123
AALA124
ATHR125
AARG187

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD B 1003
ChainResidue
AASP131
BCYS65
BHIS67
BGLU92
BCD1004

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CD B 1004
ChainResidue
BHOH8
BHOH20
BCYS65
BGLU92
BASP116
BCL502
BCD1003

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BCYS65
BGLU92
BASP116
BASN120
BPHE121
BCD1004

site_idBC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE BMC B 1
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
AASP207
AILE208
BTYR83
BHIS185
BARG187
BSER195
BGLY197
BVAL201
BHOH225

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BHOH33
BLYS71
BHIS171
BLEU172

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 5
ChainResidue
AARG127
ALYS188
AGLY189
AHOH225
BCYS65
BTHR66
BHIS67
BLYS159

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 6
ChainResidue
BGLY123
BALA124
BTHR125
BARG187
BHOH225

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PDB entries from 2024-07-17

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