Structure of PDB 1fjo Chain A Binding Site BS06

Receptor Information

>1fjo Chain A (length=316) Species: 1427 (Bacillus thermoproteolyticus)

ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGDGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSEMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGD
SLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTH
YGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK

Ligand information

• Ligand ID: ACN
• InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
• InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.352: CC(C)=O
  ACDLabs 11.02: O=C(C)C
  OpenEye OEToolkits 1.7.0: CC(=O)C
• Formula: C3 H6 O
• Name: ACETONE
• ChEMBL: CHEMBL14253
• ZINC: ZINC000000895111
• PDB chain: 1fjo Chain A Residue 506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1fjo Experimental and computational mapping of the binding surface of a crystalline protein.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H142 R203
• Binding residue (residue number reindexed from 1): H142 R203
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H142 E143 H146 Y157 E166 D226 H231
• Catalytic site (residue number reindexed from 1): H142 E143 H146 Y157 E166 D226 H231
• Enzyme Commision number: 3.4.24.27: thermolysin.

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1fjo, PDBe:1fjo, PDBj:1fjo
• PDBsum: 1fjo
• PubMed: 11287678
• UniProt: P00800|THER_BACTH Thermolysin (Gene Name=npr)