Structure of PDB 1thj Chain B Binding Site BS01

Receptor Information

>1thj Chain B (length=213) Species: 2210 (Methanosarcina thermophila)

MQEITVDEFSNIRENPVTPWNPEPSAPVIDPTAYIDPEASVIGEVTIGAN
VMVSPMASIRSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVE
VDGKEYAVYIGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCV
LEPRSAAIGVTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVV
YVNVHLAEGYKET

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1thj Chain B Residue 214

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1thj A left-hand beta-helix revealed by the crystal structure of a carbonic anhydrase from the archaeon Methanosarcina thermophila.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): H81 H122
• Binding residue (residue number reindexed from 1): H82 H123
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E62 Q75 H81 E84 H117 H122 N202
• Catalytic site (residue number reindexed from 1): E63 Q76 H82 E85 H118 H123 N203
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0043199 sulfate binding
• GO:0046872 metal ion binding
• GO:0050897 cobalt ion binding
• GO:0071890 bicarbonate binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1thj, PDBe:1thj, PDBj:1thj
• PDBsum: 1thj
• PubMed: 8665839
• UniProt: P40881|CAH_METTT Carbonic anhydrase (Gene Name=MSTHT_0588)