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4AHS

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 Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BTHR66
BHIS67
BLYS159
BHOH2056

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ATHR66
AHIS67
ALYS159
AHOH2010
AHOH2066

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
ALYS71
AARG166
AHIS171
ALEU172
AHOH2071
AHOH2077

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH2023
BHOH2042
BHOH2087

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1213
ChainResidue
BARG166
BHIS171
BLEU172
BHOH2011
BHOH2072

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1214
ChainResidue
AARG107
AHOH2020
BGLU85
BGLU87
BPHE100
BLYS103

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 1215
ChainResidue
AGLU87
AHOH2019
AHOH2022
AHOH2078
BTYR99
BLYS103
BACT1216

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1216
ChainResidue
ATYR99
ALYS103
AHOH2037
BGLU87
BACT1215
BHOH2015

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 1213
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
AARG107
AHOH2020
BARG107

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 1217
ChainResidue
AMET178
AHOH2073
AHOH2081
BALA128
BALA129
BHOH2045
BHOH2047

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1214
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
AHOH2073
AHOH2076

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1215
ChainResidue
ATHR93
AGLY94
AGLN95
ASER123
ATHR125
AHOH2030

site_idBC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE AKH B 1218
ChainResidue
AHIS185
AGLY197
AGLU198
AVAL201
AHOH2093
BGLY106
BARG107
BPRO109
BILE204
BILE208

site_idBC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE AKH A 1216
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
AILE204
AILE208
AHOH2099
BHIS185
BGLY197
BGLU198
BVAL201

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 2024-07-24

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