Structure of PDB 2h6b Chain B Binding Site BS01

Receptor Information
>2h6b Chain B (length=235) Species: 49338 (Desulfitobacterium hafniense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFCGAIIPDNFFPIEKLRNYTQMGLIRDFAKGSAVIMPGEEITSMIFLVE
GKIKLDIIFEDGSEKLLYYAGGNSLIGKLYPTGNNIYATAMEPTRTCWFS
EKSLRTVFRTDEDMIFEIFKNYLTKVAYYARQVAEMNTYNPTIRILRLFY
ELCSSQGKRVGDTYEITMPLSQKSIGEITGVHHVTVSRVLACLKRENILD
KKKNKIIVYNLGELKHLSEQTSYYSDPNSSSVDKL
Ligand information
Ligand ID3C4
InChIInChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKeyIYTUKSIOQKTZEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1cc(ccc1O)CC(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(=O)O)Cl)O
CACTVS 3.341OC(=O)Cc1ccc(O)c(Cl)c1
FormulaC8 H7 Cl O3
Name(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID
ChEMBLCHEMBL592010
DrugBank
ZINCZINC000000407042
PDB chain2h6b Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2h6b CprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L131 V134
Binding residue
(residue number reindexed from 1)		L123 V126
Annotation score1
Binding affinityMOAD: Kd=4.1uM
PDBbind-CN: -logKd/Ki=5.39,Kd=4.1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2h6b, PDBe:2h6b, PDBj:2h6b
PDBsum2h6b
PubMed16803881
UniProtQ8RPJ2

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