Structure of PDB 7wd3 Chain F Binding Site BS04

Receptor Information
>7wd3 Chain F (length=722) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPAEFITRPHPSKDHGKETCTAYIHPNVLSSLEINPGSFCTVGKIGENG
ILVIARAGDEEVHPVNVITLSTTIRSVGNLILGDRLELKKAQVQPPYATK
VTVGSLQGYNILECMEEKVIQKLLDDSGVIMPGMIFQNLKTKAGDESIDV
VITDAFYLSPPFIFRKGSTHITFSKETQANRKYNLPEPLSYAAVGGLDKE
IESLKSAIEIPLHQPTLFSSFGVSPPRGILLHGPPGTGKTMLLRVVANTS
NAHVLTINGPSIVSKYLGETEAALRDIFNEARKYQPSIIFIDEIDSIAPN
RANDDSGEVESRVVATLLTLMDGMGAAGKVVVIAATNRPNSVDPALRRPG
RFDQEVEIGIPDVDARFDILTKQFSRMSSDRHVLDSEAIKYIASKTHGYV
GADLTALCRESVMKTIQRGLGTDANIDKFSLKVTLKDVESAMVDIRPSAM
REIFLEPKVYWSDIGGQEELKTKMKEMIQLPLEASETFARLGISAPKGVL
LYGPPGCSKTLTAKALATESGINFLAVKGPEIFNKYVGESERAIREIFRK
ARSAAPSIIFFDEIDALSPDRDGSSTSAANHVLTSLLNEIDGVEELKGVV
IVAATNRPDEIDAALLRPGRLDRHIYVGPPDVNARLEILKKCTKKFNTEE
SGVDLHELADRTEGYSGAEVVLLCQEAGLAAIMEDLDVAKVELRHFEKAF
KGIARGITPEMLSYYEEFALRS
Ligand information
Ligand IDNDT
InChIInChI=1S/C14H13BN2O3S/c1-11-6-8-13(9-7-11)21(19,20)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10,18H,1H3
InChIKeyUQIDNSKBUXCODH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O
OpenEye OEToolkits 1.5.0B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O
CACTVS 3.341Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B2O
ACDLabs 10.04O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3)C
FormulaC14 H13 B N2 O3 S
Name2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL
ChEMBLCHEMBL168634
DrugBankDB08265
ZINCZINC000169748506
PDB chain7wd3 Chain F Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wd3 Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		Q426 R429 T458 R462
Binding residue
(residue number reindexed from 1)		Q373 R376 T405 R409
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.10: non-chaperonin molecular chaperone ATPase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0009410 response to xenobiotic stimulus
GO:0034214 protein hexamerization
GO:0042254 ribosome biogenesis
GO:0042273 ribosomal large subunit biogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0030687 preribosome, large subunit precursor

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wd3, PDBe:7wd3, PDBj:7wd3
PDBsum7wd3
PubMed36351914
UniProtP32794|AFG2_YEAST ATPase family gene 2 protein (Gene Name=AFG2)

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