Structure of PDB 3e6b Chain A Binding Site BS01

Receptor Information
>3e6b Chain A (length=208) Species: 272564 (Desulfitobacterium hafniense DCB-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNFFPIEKLRNYTQMGLIRDFAKGSAVIMPGEEITSMIFLVEGKIKLDII
FEDGSEKLLYYAGGNSLIGKLYPTGNNIYATAMEPTRTCWFSEKSLRTVF
RTDEDMIFEIFKNYLTKVAYYARQVAEMNPTIRILRLFYELCSSQGKRVG
DTYEITMPLSQKSIGEITGVHHVTVSRVLASLKRENILDKKKNKIIVYNL
GELKHLSE
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 chain3e6b Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e6b Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Resolution2.01 Å
Binding residue
(original residue number in PDB)		Y76 I84 G85 K86 T90 N92 I94 Y130 K133
Binding residue
(residue number reindexed from 1)		Y60 I68 G69 K70 T74 N76 I78 Y114 K117
Annotation score1
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:3e6b, PDBe:3e6b, PDBj:3e6b
PDBsum3e6b
PubMed18717788
UniProtB8FW11

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