Structure of PDB 3t8i Chain C Binding Site BS01

Receptor Information

>3t8i Chain C (length=306) Species: 273057 (Saccharolobus solfataricus P2)

MRKVIVDSDTATDDTIAILLASRFFQLLGVTIVAGNVNYNQEVKNALFTL
EYIGKQDVPVYLGSQRPILGNWRTVEEVHGSNGMSNWNYPEPNKRPEKEH
AIDAILRLSKEHEGELEILAISPLTNIALAYLKDPSVVKRVKKIWIMGGA
FSKGNTTPIAEFNFWVDPEAAKIVLDAGFDITIVPWEVAEISGSLNERDW
EYISKLNTKLSNFFINVNKTLKEYTTKNQGISGSIHPDSLTVSIAHDNSI
ILDSSLKYVDVELCSKSRGAMLIDWYSLHKNKPNAEIVLKADGGKFKNLL
FNSLSQ

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: 3t8i Chain C Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t8i New Determinants in the Catalytic Mechanism of Nucleoside Hydrolases from the Structures of Two Isozymes from Sulfolobus solfataricus.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D9 D14 I121 D238
• Binding residue (residue number reindexed from 1): D9 D14 I121 D238
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D9 D14 N36 I121 F162 N163 P237 D238
• Catalytic site (residue number reindexed from 1): D9 D14 N36 I121 F162 N163 P237 D238
• 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: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:3t8i, PDBe:3t8i, PDBj:3t8i
• PDBsum: 3t8i
• PubMed: 22551416
• UniProt: Q97WH6