Structure of PDB 6mv4 Chain H Binding Site BS05

Receptor Information

>6mv4 Chain H (length=235) Species: 9606 (Homo sapiens)

VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPL
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT

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: 6mv4 Chain H Residue 311

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6mv4 Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): E70 N72 E75 E77 E80
• Binding residue (residue number reindexed from 1): E55 N57 E60 E62 E65
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 Q192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D89 Q182 G183 D184 S185 G186
• Enzyme Commision number: 3.4.21.22: coagulation factor IXa.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:6mv4, PDBe:6mv4, PDBj:6mv4
• PDBsum: 6mv4
• PubMed: 30725510
• UniProt: P00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)