Structure of PDB 3e5u Chain D Binding Site BS01

Receptor Information
>3e5u Chain D (length=220) Species: 272564 (Desulfitobacterium hafniense DCB-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFCGAIIPDNFFPIEKLRNYTQMGLIRDFAKGSAVIMPGEEITSMIFLVE
GKIKLDIIFEDGSEKLLYYAGGNSLIGKLYPTGNNIYATAMEPTRTCWFS
EKSLRTVFRTDEDMIFEIFKNYLTKVAYYARQVAEMNTYNPTIRILRLFY
ELCSSQGKRVGDTYEITMPLSQKSIGEITGVHHVTVSRVLASLKRENILD
KKKNKIIVYNLGELKHLSEQ
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 chain3e5u Chain C Residue 504 [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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PDB3e5u Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Resolution1.83 Å
Binding residue
(original residue number in PDB)		L131 V134
Binding residue
(residue number reindexed from 1)		L123 V126
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.85,Kd=1.4uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:3e5u, PDBe:3e5u, PDBj:3e5u
PDBsum3e5u
PubMed18717788
UniProtB8FW11

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