Structure of PDB 8ctm Chain D Binding Site BS01

Receptor Information

>8ctm Chain D (length=308) Species: 5661 (Leishmania donovani)

PRKIILDCDPGIDDAVAIFLAHGNPEVELLAITTVVGNQTLEKVTRNARL
VADVAGIVGVPVAAGCTKPLVRGVRSQIHGETGMGNVSYPPEFKTKLDGR
HAVQLIIDLIMSHEPKTITLVPTGGLTNIAMAVRLEPRIVDRVKEVVLMG
GGYHTGNASPVAEFNVFVDPEAAHIVFNESWNVTMVGLDLTHQALATPAV
QKRVKEVGTKPAAFMLQILDFYTKVYEKNTYATVHDPCAVAYVIDPTVMT
TEQVPVDIELNGALTTGMTVADFRYPRPKHCHTQVAVKLDFDKFWCLVID
ALKRIGDP

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: 8ctm Chain D Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ctm Crystal structure of the nucleoside hydrolase from Leishmania donovani.
• Resolution: 1.73 Å
• Binding residue (original residue number in PDB): D10 D15 T126 D241
• Binding residue (residue number reindexed from 1): D9 D14 T123 D236
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.2.1: purine nucleosidase.

Gene Ontology

Molecular Function

• GO:0008477 purine nucleosidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
• GO:0045437 uridine nucleosidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0006152 purine nucleoside catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8ctm, PDBe:8ctm, PDBj:8ctm
• PDBsum: 8ctm
• UniProt: Q8WQX2