Structure of PDB 1kli Chain H Binding Site BS02

Receptor Information

>1kli Chain H (length=254) Species: 9606 (Homo sapiens)

IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWR
NLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPV
VLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNV
PRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHY
RGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLR
APFP

Ligand information

• Ligand ID: BEN
• InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
• InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [H]/N=C(\c1ccccc1)/N
  CACTVS 3.341: NC(=N)c1ccccc1
  ACDLabs 10.04: [N@H]=C(N)c1ccccc1
  OpenEye OEToolkits 1.5.0: [H]N=C(c1ccccc1)N
• Formula: C7 H8 N2
• Name: BENZAMIDINE
• ChEMBL: CHEMBL20936
• ZINC: ZINC000000036634
• PDB chain: 1kli Chain H Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1kli Crystal Structure of Uninhibited Factor VIIa Link its Cofactor and Substrate-assisted Activation to Specific Interactions
• Resolution: 1.69 Å
• Binding residue (original residue number in PDB): D189 S190 S195 V213 W215 G219
• Binding residue (residue number reindexed from 1): D186 S187 S192 V210 W212 G215
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.21: coagulation factor VIIa.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1kli, PDBe:1kli, PDBj:1kli
• PDBsum: 1kli
• PubMed: 12225752
• UniProt: P08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)