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4KFG

The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor.

Functional Information from GO Data
ChainGOidnamespacecontents
A0003677molecular_functionDNA binding
A0003918molecular_functionDNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
A0005524molecular_functionATP binding
A0006265biological_processDNA topological change
B0003677molecular_functionDNA binding
B0003918molecular_functionDNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
B0005524molecular_functionATP binding
B0006265biological_processDNA topological change
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 301
ChainResidue
APRO79
ATHR80
AGLY81
AARG136
AGLU137
AHOH511
AHOH534

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 302
ChainResidue
AGLY113
AHIS116
AHOH454
AHOH505
AHOH531
AHOH544
AHOH571
BGLY113
BARG190
AVAL111
ASER112

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE DOO A 303
ChainResidue
AASN46
AGLU50
AVAL71
AASP73
AARG76
AGLY77
AILE78
APRO79
AMET91
AVAL120
ATHR165
AHOH404
AHOH434
AHOH535
AHOH564

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 301
ChainResidue
BPRO79
BTHR80
BGLY81
BARG136
BGLU137
BHOH483

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE DOO B 302
ChainResidue
BASN46
BASP49
BGLU50
BVAL71
BASP73
BARG76
BGLY77
BILE78
BVAL120
BTHR165
BHOH405
BHOH414
BHOH445
BHOH536
BHOH546

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor (ATPase activity) => ECO:0000305|PubMed:10734094, ECO:0000305|PubMed:8248233
ChainResidueDetails
AGLU42
BGLU42

site_idSWS_FT_FI2
Number of Residues10
DetailsBINDING: BINDING => ECO:0000269|PubMed:10734094, ECO:0000269|PubMed:25202966, ECO:0000269|PubMed:25849408
ChainResidueDetails
AASN46
BLEU115
AASP73
AGLY102
ATYR109
ALEU115
BASN46
BASP73
BGLY102
BTYR109

site_idSWS_FT_FI3
Number of Residues14
DetailsBINDING: BINDING => ECO:0000269|PubMed:25849408
ChainResidueDetails
AILE90
BALA100
BLYS103
BASP105
BGLY117
BSER121
AVAL93
AALA100
ALYS103
AASP105
AGLY117
ASER121
BILE90
BVAL93

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PDB entries from 2024-07-24

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