Structure of PDB 4hqm Chain A Binding Site BS01

Receptor Information
>4hqm Chain A (length=99) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCPYLEETFKILGRSWNGLIINYLSRSNDSSAHFSDMKRDLKTITPRALS
LKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSY
Ligand information
Ligand ID17Z
InChIInChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKeyZJTLZYDQJHKRMQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(c2ccccc2c1O)O
ACDLabs 12.01Oc2c1ccccc1c(O)c(c2)C
CACTVS 3.370Cc1cc(O)c2ccccc2c1O
FormulaC11 H10 O2
Name2-methylnaphthalene-1,4-diol;
Menadione, bound form
ChEMBLCHEMBL1405447
DrugBank
ZINCZINC000018120050
PDB chain4hqm Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hqm Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C5 L8 E9
Binding residue
(residue number reindexed from 1)		C2 L5 E6
Annotation score4
External links