Structure of PDB 5pas Chain C Binding Site BS01

Receptor Information

>5pas Chain C (length=250) Species: 9606 (Homo sapiens)

IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWR
NLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPV
VLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNV
PRLMTQDCLQQSRSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTW
YLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP

Ligand information

• Ligand ID: 7ZD
• InChI: InChI=1S/C26H23N5O3/c32-24(12-17-5-2-1-3-6-17)25(33)28-14-18-7-4-8-20(11-18)31-26(34)21(16-29-31)23-13-19-15-27-10-9-22(19)30-23/h1-11,13,15-16,24,30,32,34H,12,14H2,(H,28,33)/t24-/m0/s1
• InChIKey: DVKKUFFDFYCKKJ-DEOSSOPVSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: c1ccc(cc1)CC(C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O
  CACTVS 3.385: O[CH](Cc1ccccc1)C(=O)NCc2cccc(c2)n3ncc(c3O)c4[nH]c5ccncc5c4
  CACTVS 3.385: O[C@@H](Cc1ccccc1)C(=O)NCc2cccc(c2)n3ncc(c3O)c4[nH]c5ccncc5c4
  OpenEye OEToolkits 2.0.6: c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O
• Formula: C26 H23 N5 O3
• Name: (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
• PDB chain: 5pas Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5pas Crystal Structure of a Factor VIIa complex
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): H253 D256 K257 S399 C400 K401 S404 W424
• Binding residue (residue number reindexed from 1): H41 D44 K45 S183 C184 K185 S188 W208
• 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:5pas, PDBe:5pas, PDBj:5pas
• PDBsum: 5pas
• UniProt: P08709|FA7_HUMAN Coagulation factor VII (Gene Name=F7)