Structure of PDB 3e5x Chain D Binding Site BS01

Receptor Information
>3e5x 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
ELCSSQGKRVGDTYEITMPLSQKSIGEITGVHHVTVSRVLACLKRENILD
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 chain3e5x Chain C Residue 502 [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]
PDB3e5x Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Resolution1.999 Å
Binding residue
(original residue number in PDB)		L131 V134
Binding residue
(residue number reindexed from 1)		L123 V126
Annotation score1
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:3e5x, PDBe:3e5x, PDBj:3e5x
PDBsum3e5x
PubMed18717788
UniProtB8FW11

[Back to BioLiP]