Structure of PDB 9bul Chain A Binding Site BS01

Receptor Information
>9bul Chain A (length=168) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNI
VATPRGYVLAGGKSGVSRLVAVKHAPEEIKEELLCVVRNGGRIVDVIVEH
PVYGEIRGIIDVSSEEEVLKFVNLMEMAKTEPLLTLSGGVHLHTIEAPDE
ETMERIMRELKKKGFLIE
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain9bul Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9bul The structure of NiaR from Thermotoga maritima bound to nicotinic acid
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H79 E87 H146 H148
Binding residue
(residue number reindexed from 1)		H74 E82 H141 H143
Annotation score4
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:9bul, PDBe:9bul, PDBj:9bul
PDBsum9bul
PubMed
UniProtQ9X1T8|NIAR_THEMA Probable transcription repressor NiaR (Gene Name=niaR)

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