PDBsum entry 4isi

Hydrolase/hydrolase inhibitor

PDB id: 4isi

Contents

Protein chains

254 a.a.

55 a.a.

Ligands

1GG

Metals

_CA

Waters ×220

PDB id:

4isi

Name:

Hydrolase/hydrolase inhibitor

Title:

Structure of factor viia in complex with the inhibitor (6s)-n-(4- carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo- 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

Structure:

Factor vii heavy chain. Chain: h. Engineered: yes. Factor vii light chain. Chain: l. Fragment: unp residues 150-204. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: f7. Expressed in: cricetinae. Expression_system_taxid: 10026. Expression_system_taxid: 10026

Resolution:

1.94Å R-factor: 0.210 R-free: 0.229

Authors:

A.Wei

Key ref:

X.Zhang et al. (2013). Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors. Bioorg Med Chem Lett, 23, 1604-1607. PubMed id: 23416003 DOI: 10.1016/j.bmcl.2013.01.094

Date:

16-Jan-13 Release date: 27-Feb-13

Protein chain

P08709  (FA7_HUMAN) -  Coagulation factor VII from Homo sapiens

Seq: 466 a.a.

Struc: 254 a.a.

Protein chain

P08709  (FA7_HUMAN) -  Coagulation factor VII from Homo sapiens

Seq: 466 a.a.

Struc: 55 a.a.

Enzyme reactions

• Enzyme class: Chains H, L: E.C.3.4.21.21 - coagulation factor VIIa.
• Reaction: Hydrolyzes one Arg-|-Ile bond in factor X to form factor Xa.

DOI no: 10.1016/j.bmcl.2013.01.094

Bioorg Med Chem Lett 23:1604-1607 (2013)

PubMed id: 23416003

Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.

X.Zhang, P.W.Glunz, W.Jiang, A.Schmitt, M.Newman, F.A.Barbera, J.M.Bozarth, A.R.Rendina, A.Wei, X.Wen, K.A.Rossi, J.M.Luettgen, P.C.Wong, R.M.Knabb, R.R.Wexler, E.Scott Priestley.

ABSTRACT

No abstract given.