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4AHU

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 Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ATHR66
AHIS67
ALYS159
AHOH2010
AHOH2070

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AHOH2079
AALA169
AGLU170
AHIS171
ATHR174

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1213
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
ALEU104
AHOH2024
BARG107

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 1214
ChainResidue
AGLU92

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1215
ChainResidue
AGLY94
ASER123
ATHR124
ATHR125
AHOH2033
AHOH2097

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1216
ChainResidue
AGLU69
ALYS71
AHIS171
ALEU172
ALYS173
AHOH2098

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ICO A 1217
ChainResidue
ATYR83
AASN184
AHIS185
AGLY197
AGLU198
AHOH2092
AHOH2099
BGLY106
BARG107
BPRO109
BILE208

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
BTHR66
BHIS67
BLYS136
BLYS159
BHOH2055

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1213
ChainResidue
BALA169
BGLU170
BHIS171
BTHR174
BGOL1219

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1214
ChainResidue
AARG107
AHOH2024
BGLU85
BGLU87
BPHE100
BLYS103
BLEU104

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACY B 1215
ChainResidue
BLYS71
BHIS171
BLEU172
BHOH2068

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1216
ChainResidue
AMET178
AHOH2079
AHOH2084
BALA129
BHOH2045

site_idBC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 1217
ChainResidue
BGLU92

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1218
ChainResidue
BGLY94
BGLN95
BSER123
BTHR124
BTHR125
BHOH2023
BHOH2078

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1219
ChainResidue
BGLN168
BMET178
BSO41213
BHOH2066

site_idBC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE ICO B 1220
ChainResidue
AGLY106
AARG107
APRO109
AILE208
AHOH2045
BTYR83
BASN184
BHIS185
BGLY197
BGLU198
BVAL201
BHOH2074

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

224201

PDB entries from 2024-08-28

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