Structure of PDB 7cv2 Chain A Binding Site BS01

Receptor Information
>7cv2 Chain A (length=173) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILGEERRSLLIKWLKASDTPLTGAELAKRTNVSRQVIVQDVSLLKAKNHP
ILATAQGYIYMKEANTVQAQRVVACQHGPADMKDELLTLVDHGVLIKDVT
VDHPVYGDITASLHLKSRKDVALFCKRMEESNGTLLSTLTKGVHMHTLEA
ESEAILDEAIRALEEKGYLLNSF
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 chain7cv2 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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PDB7cv2 Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Resolution1.802 Å
Binding residue
(original residue number in PDB)		H83 M88 E91 F130 M134 L142 H150 H152
Binding residue
(residue number reindexed from 1)		H77 M82 E85 F124 M128 L136 H144 H146
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0036094 small molecule binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7cv2, PDBe:7cv2, PDBj:7cv2
PDBsum7cv2
PubMed33273654
UniProtQ9KDJ7

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