Structure of PDB 3o14 Chain A Binding Site BS02

Receptor Information
>3o14 Chain A (length=222) Species: 351348 (Marinobacter nauticus VT8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMEINADFTKPVVIDTDQLEWRPSPMKGVERRMLDRIGGEVARATSIVRY
APGSRFSAHTHDGGEEFIVLDGVFQDEHGDYPAGTYVRNPPTTSHVPGSA
EGCTIFVKLWQFDPADRTQFSKNMEAELGAPVEGISTSLLHEDERETVTH
RKLEPGANLTSEAAGGIEVLVLDGDVTVNDEVLGRNAWLRLPEGEALSAT
AGARGAKIWMKTGHLRFVRTPE
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain3o14 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3o14 Crystal structure of an anti-ECFsigma factor, ChrR (Maqu_0586) from Marinobacter aquaeolei VT8 at 1.70 A resolution
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R30 R35 S45 V47 V106
Binding residue
(residue number reindexed from 1)		R31 R36 S46 V48 V107
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3o14, PDBe:3o14, PDBj:3o14
PDBsum3o14
PubMed
UniProtA1TY68

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