Structure of PDB 3th3 Chain L Binding Site BS03

Receptor Information

>3th3 Chain L (length=96) Species: 9606 (Homo sapiens)

GDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENG
GCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILE

Ligand information

• Ligand ID: BGC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 3th3 Chain L Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3th3 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): Q49 S52 P54
• Binding residue (residue number reindexed from 1): Q3 S6 P8
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.21.21: coagulation factor VIIa.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3th3, PDBe:3th3, PDBj:3th3
• PDBsum: 3th3
• UniProt: P08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)