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4AHR

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 A 1211
ChainResidue
ATHR66
AHIS67
ALYS159
AHOH2048

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AHOH2027
AHOH2042
AGLY94
ASER123
ATHR124
ATHR125
AHOH2026

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1213
ChainResidue
ALYS71
AARG166
AGLU170
AHIS171
ALEU172
AHOH2053

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1214
ChainResidue
ATYR99
ALYS103
AHOH2016
AHOH2029
AHOH2069
BGLU87
BLYS103

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY A 1215
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
BARG107
BACY1215

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACY A 1216
ChainResidue
AGLU170
AHIS171
ATHR174
BGOL1216

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1217
ChainResidue
AALA98
AALA129
AHOH2071
BMET178

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE I2E A 1218
ChainResidue
AALA105
AGLY106
AARG107
ATRP108
APRO109
AILE204
AHOH2066
BTYR83
BHIS185
BGLY197
BGLU198

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BTHR66
BHIS67
BLYS159
BHOH2035

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH2015
BHOH2026

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 1213
ChainResidue
BHIS171
BLEU172
BHOH2042

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1214
ChainResidue
AARG187
BHIS67
BVAL72
BALA91
BGLU92

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY B 1215
ChainResidue
AARG107
AACY1215
BGLU85
BGLU87
BPHE100
BLYS103

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL B 1216
ChainResidue
AACY1216
BLEU102

site_idBC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE I2E B 1217
ChainResidue
ATYR83
AASN184
AHIS185
AGLY197
AGLU198
AHOH2063
BGLY106
BARG107
BTRP108
BPRO109
BILE208
BHOH2054

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 2024-07-17

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