Structure of PDB 3tec Chain E Binding Site BS01

Receptor Information

>3tec Chain E (length=279) Species: 2026 (Thermoactinomyces vulgaris)

YTPNDPYFSSRQYGPQKIQAPQAWDIAEGSGAKIAIVDTGVQSNHPDLAG
KVVGGWDFVDNDSTPQNGNGHGTHCAGIAAAVTNNSTGIAGTAPKASILA
VRVLDNSGSGTWTAVANGITYAADQGAKVISLSLGGTVGNSGLQQAVNYA
WNKGSVVVAAAGNAGNTAPNYPAYYSNAIAVASTDQNDNKSSFSTYGSVV
DVAAPGSWIYSTYPTSTYASLSGTSMATPHVAGVAGLLASQGRSASNIRA
AIENTADKISGTGTYWAKGRVNAYKAVQY

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: 3tec Chain E Residue 343

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3tec Calcium binding to thermitase. Crystallographic studies of thermitase at 0, 5, and 100 mM calcium.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D5 D47 V82 N85 T87 I89
• Binding residue (residue number reindexed from 1): D5 D47 V82 N85 T87 I89
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S225
• Catalytic site (residue number reindexed from 1): S225
• Enzyme Commision number: 3.4.21.66: thermitase.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3tec, PDBe:3tec, PDBj:3tec
• PDBsum: 3tec
• PubMed: 1993669
• UniProt: P04072|THET_THEVU Thermitase