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4AHT

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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1210
ChainResidue
ATHR66
AHIS67
ALYS136
ALYS159
AHOH2008
AHOH2065

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1210
ChainResidue
BLYS159
BHOH2051
BTHR66
BHIS67
BLYS136

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ALYS71
AHIS171
ALEU172
AEDO1214
AHOH2083

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BHIS171
BLEU172
BHOH2060

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AHOH2081

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
BHIS67
BVAL72
BALA91
BGLU92
BHOH2074

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1213
ChainResidue
BALA169
BGLU170
BHIS171
BTHR174

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 1214
ChainResidue
AARG107
AHOH2013
BGLU85
BALA86
BGLU87
BPHE100
BLYS103
BARG107
BACY1215

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY B 1215
ChainResidue
AGLU87
ALYS103
AARG107
AEDO1213
AHOH2013
BGLU87
BLYS103
BSO41214

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1213
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
ALEU104
BARG107
BACY1215

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1214
ChainResidue
AGLU69
AGLU170
ALEU172
ASO41211

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1216
ChainResidue
BASP64
BCYS65
BASP116

site_idBC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TAM B 1217
ChainResidue
AGLN164
BGLY94
BGLN95
BSER123
BTHR124
BTHR125
BHOH2018
BHOH2021
BHOH2034
BHOH2075

site_idBC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TAM A 1215
ChainResidue
ATHR93
AGLY94
AGLN95
ASER123
ATHR124
ATHR125
AHOH2028
AHOH2029
AHOH2055
AHOH2101

site_idBC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE Q6T B 1218
ChainResidue
ATYR83
AHIS185
AGLY197
AGLU198
AVAL201
AHOH2094
BGLY106
BARG107
BTRP108
BPRO109
BILE208

site_idBC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE Q6T A 1216
ChainResidue
APRO109
AHOH2102
BTYR83
BHIS185
BGLY197
BGLU198
BVAL201
AGLY106
AARG107
ATRP108

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 2024-11-06

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