Structure of PDB 3fws Chain A Binding Site BS03

Receptor Information
>3fws Chain A (length=145) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRD
AVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIA
KHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3fws Chain A Residue 224 [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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PDB3fws Ligand recognition by the energy sensor domain of the CcpN repressor
Resolution2.03 Å
Binding residue
(original residue number in PDB)		Q174 I175
Binding residue
(residue number reindexed from 1)		Q107 I108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3fws, PDBe:3fws, PDBj:3fws
PDBsum3fws
PubMed
UniProtO34994|CCPN_BACSU Transcriptional repressor CcpN (Gene Name=ccpN)

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