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4AH9

Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification

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 Residues10
DetailsBINDING SITE FOR RESIDUE 0MB A 218
ChainResidue
AARG107
BHOH2080
APRO109
AILE204
AILE208
ASO41213
BHIS185
BARG187
BGLY197
BGLU198

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159
AHOH2007
AHOH2075

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1213
ChainResidue
AHIS67
AALA91
AGLU92
A0MB218
AEDO1220

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1214
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AHOH2083
BGLN95

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1215
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
AARG107
AHOH2023
BARG107

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1216
ChainResidue
ALYS71
AHIS171
ALEU172
AHOH2085

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1217
ChainResidue
APRO58
AGLY59
APRO109
AASP207

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1218
ChainResidue
BMET178

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1219
ChainResidue
ATYR99
ALYS103
AHOH2101
AHOH2102
BGLU87

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1220
ChainResidue
AGLU92
ASO41213
ACL1223
BHIS185
BARG187

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1221
ChainResidue
AGLY82
AVAL150
AMET154
AHIS183
AHOH2014

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1222
ChainResidue
AASP64
ACYS65
AASP116

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1223
ChainResidue
ATHR93
AGLY94
AEDO1220
ATAM1227

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1224
ChainResidue
ATHR124
ATAM1227
BGLN164

site_idBC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 1225
ChainResidue
AGLN95

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1226
ChainResidue
AGLU69
AILE162
AARG166
ALEU172
AHOH2012

site_idBC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TAM A 1227
ChainResidue
ATHR93
AGLY94
AGLN95
ASER123
ATHR124
ATHR125
ACL1223
ACL1224
AHOH2031
AHOH2057
BHOH2039
BHOH2071

site_idBC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0MB B 218
ChainResidue
BEDO1216
AHIS185
AARG187
AGLY197
AGLU198
AHOH2096
BARG107
BPRO109
BILE204
BILE208
BSO41211
BEDO1215

site_idCC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1210
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS159
BHOH2006
BHOH2007
BHOH2062

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BHIS67
BVAL72
BALA91
BGLU92
B0MB218

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
AGLN95
BALA169
BGLU170
BHIS171
BTHR174

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1213
ChainResidue
BLYS71
BHIS171
BLEU172
BHOH2075

site_idCC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 1214
ChainResidue
AARG107
AHOH2043
BGLU85
BALA86
BGLU87
BPHE100
BLYS103
BARG107

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 1215
ChainResidue
BGLY59
BPRO109
BASP207
B0MB218
BEDO1216
BHOH2083

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1216
ChainResidue
BHIS67
BLYS111
B0MB218
BEDO1215

site_idCC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 1217
ChainResidue
AMET178
BALA129

site_idCC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 1218
ChainResidue
BGLN95

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1219
ChainResidue
BGLU69
BILE162
BARG166
BLEU172
BALA175

site_idDC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TAM B 1220
ChainResidue
BTHR93
BGLY94
BGLN95
BSER123
BTHR124
BTHR125
BHOH2019
BHOH2022
BHOH2024
BHOH2084

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 2024-07-10

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