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3U2K

S. aureus GyrB ATPase domain 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 Residues15
DetailsBINDING SITE FOR RESIDUE 087 A 1
ChainResidue
AHOH5
APRO87
AARG144
AHOH307
AHOH339
AHOH342
AHOH347
AASN54
ASER55
AGLU58
AASP81
AARG84
AARG84
AGLY85
AILE86

site_idAC2
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 087 B 2
ChainResidue
ATHR185
AGLU186
AHOH283
AHOH327
BASN54
BSER55
BGLU58
BASP81
BARG84
BGLY85
BILE86
BPRO87
BARG144
BTHR173
BILE175
BHOH242
BHOH330
BHOH358
BHOH360

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 234
ChainResidue
AHOH9
AHOH306
AHOH320
AHOH326
AHOH326
AHOH341
AHOH341

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 2
ChainResidue
AGLY208
AHIS228
AHOH264
AHOH344
AHOH345
AHOH346

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 3
ChainResidue
AGLU50
AHOH117
AHOH244
AHOH350
AHOH355
AHOH381

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 4
ChainResidue
AHOH315
AHOH373
BHOH318
BHOH336
BHOH374

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 5
ChainResidue
BGLY208
BHIS228
BHOH255
BHOH269
BHOH321
BHOH343

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG B 6
ChainResidue
BASP53
BASN54
BHOH252
BHOH268
BHOH292
BHOH371
BHOH397

Functional Information from PROSITE/UniProt
site_idPS00154
Number of Residues7
DetailsATPASE_E1_E2 E1-E2 ATPases phosphorylation site. DKTGTVI
ChainResidueDetails
AASP169-ILE175

221051

PDB entries from 2024-06-12

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