Structure of PDB 3s69 Chain A Binding Site BS01

Receptor Information

>3s69 Chain A (length=234)

VIGGDECNINEHRSLVAFFNSTGFFCSGTLINEEWVLTAAHCDNTNFQMK
LGVHSKKVLNEDEQTRNPKEKFICPNKKNDEVLDKDIMLIKLDSRVSNSE
HIVPLSLPSSPPSVGSVCHIMGWGSITPIKVTYPDVPYCAYINLLDDAVC
QAGYPELLTEYRTLCAGILEGGKDTCGGDSGGPLICNGQFQGIVSFGAHP
CGQGLKPGVYTKVFDYNHWIQSIIAGNTTVTCPQ

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: 3s69 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s69 Structure of saxthrombin, a thrombin-like enzyme from Gloydius saxatilis.
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): E115 H116
• Binding residue (residue number reindexed from 1): E100 H101
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H56 D101 G192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D86 G177 G178 D179 S180 G181
• Enzyme Commision number: 3.4.21.-

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0090729 toxin activity

Biological Process

• GO:0006508 proteolysis
• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:3s69, PDBe:3s69, PDBj:3s69
• PDBsum: 3s69
• PubMed: 21821882
• UniProt: Q7SZE1|VSPSX_GLOSA Thrombin-like enzyme saxthrombin