Structure of PDB 2c40 Chain B Binding Site BS01

Receptor Information

>2c40 Chain B (length=300) Species: 198094 (Bacillus anthracis str. Ames)

MKKVYFNHDGGVDDLVSLFLLLQMDNVELTGVSVIPADCYLEPAMSASRK
IIDRFGKNTIEVAASNSRGKNPFPKDWRMHAFYVDALPILNESGKVVTHV
AAKPAHHHLIETLLQTEEKTTLLFTGPLTDLARALYEAPIIENKIKRLVW
MGGTFRTAGNVHEPEHDGTAEWNSFWDPEAVARVWEANIEIDLITLESTN
QVPLTIDIREQWAKERKYIGIDFLGQCYAIVPPYLWDVLTAAFVGKADLA
KVQTINSIVHTYGPSQGRTVETDDGRPVHVVYDVNHDRFFDYITRLAKKV

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2c40 Chain B Residue 1311

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2c40 Crystal Structure of Inosine-Uridine Preferring Nucleoside Hydrolase from Bacillus Anthracis at 2.2A Resolution
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D9 D14 T125 D247
• Binding residue (residue number reindexed from 1): D9 D14 T125 D237
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D9 D14 D38 W77 T125 W172 N173 W246 D247
• Catalytic site (residue number reindexed from 1): D9 D14 D38 W77 T125 W172 N173 W236 D237
• Enzyme Commision number: 3.2.2.1: purine nucleosidase.

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
• GO:0046872 metal ion binding

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process

External links

• PDB: RCSB:2c40, PDBe:2c40, PDBj:2c40
• PDBsum: 2c40
• UniProt: Q81QM4