Structure of PDB 1sn7 Chain A Binding Site BS01

Receptor Information

>1sn7 Chain A (length=353) Species: 192387 (Alicyclobacillus sendaiensis)

TAYTPLDVAQAYQFPEGLDGQGQCIAIIELGGGYDESLAQYFASLGVPAP
QVVSVSVDGASNQPTGDPSGPDGEVELDIEVAGALAPGAKFAVYFAPNTD
AGFLDAITTAIHDPTLKPSVVSISWGGPEDSWTSAAIAAMNRAFLDAAAL
GVTVLAAAGDSGSTDGEQDGLYHVDFPAASPYVLACGGTRLVASGGRIAQ
ETVWNDGPDGGATGGGVSRIFPLPAWQEHANVPPSANPGASSGRGVPDLA
GNADPATGYEVVIDGEATVIGGTSAVAPLFAALVARINQKLGKAVGYLNP
TLYQLPADVFHDITEGNNDIANRAQIYQAGPGWDPCTGLGSPIGVRLLQA
LLP

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: 1sn7 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1sn7 Crystallographic and biochemical investigations of kumamolisin-as, a serine-carboxyl peptidase with collagenase activity.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D316 I317 G334 G336 D338 P357
• Binding residue (residue number reindexed from 1): D312 I313 G330 G332 D334 P353
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E78 D82 D164 S278
• Catalytic site (residue number reindexed from 1): E74 D78 D160 S274

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1sn7, PDBe:1sn7, PDBj:1sn7
• PDBsum: 1sn7
• PubMed: 15014068
• UniProt: Q8GB88