Structure of PDB 4xrf Chain A Binding Site BS01

Receptor Information
>4xrf Chain A (length=142) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTHIDKIQALAFSIGKKMQTELLEQMQATGLTPPQFYILKILDHYGASRA
TTLAKKMYVKPSAITVMIDRLIDQELVERYHDKDDRRVVIIELTKKGKAR
VEEAMTARNEHIAKYFSHLELQEREDLLRLFEKLETIICGTQ
Ligand information
Ligand IDISQ
InChIInChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKeyAWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		c1ccc2cnccc2c1
ACDLabs 10.04n2ccc1c(cccc1)c2
FormulaC9 H7 N
NameISOQUINOLINE
ChEMBLCHEMBL12315
DrugBankDB04329
ZINCZINC000000896098
PDB chain4xrf Chain A Residue 204 [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]
PDB4xrf Crystal structure of MepR like protein complexed with pseudoligands
Resolution2.16 Å
Binding residue
(original residue number in PDB)		Q12 A15 F135
Binding residue
(residue number reindexed from 1)		Q8 A11 F131
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006950 response to stress

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xrf, PDBe:4xrf, PDBj:4xrf
PDBsum4xrf
PubMed
UniProtQ81HX3

[Back to BioLiP]