Structure of PDB 4hqm Chain B Binding Site BS01

Receptor Information
>4hqm Chain B (length=100) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCPYLEETFKILGRSWNGLIINYLSRSNDSSAHFSDMKRDLKTITPRALS
LKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSYV
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		G21 N25
Binding residue
(residue number reindexed from 1)		G18 N22
Annotation score4
External links