PDBsum entry 3q3k

Hydrolase/hydrolase inhibitor

PDB id: 3q3k

Contents

Protein chains

233 a.a.

52 a.a.

Ligands

D90

Metals

_CA ×2

Waters ×106

PDB id:

3q3k

Name:

Hydrolase/hydrolase inhibitor

Title:

Factor xa in complex with a phenylenediamine derivative

Structure:

Activated factor xa heavy chain. Chain: a. Fragment: unp residues 235-467. Synonym: coagulation factor x heavy chain. Factor x light chain. Chain: b. Fragment: unp residues 125-178. Synonym: coagulation factor x light chain. Ec: 3.4.21.6

Source:

Homo sapiens. Human. Organism_taxid: 9606. Organism_taxid: 9606

Resolution:

2.00Å R-factor: 0.199 R-free: 0.216

Authors:

M.Suzuki,E.Imai

Key ref:

K.Yoshikawa et al. (2011). Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors. Bioorg Med Chem Lett, 21, 2133-2140. PubMed id: 21345673

Date:

22-Dec-10 Release date: 28-Dec-11

Protein chain

P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens

Seq: 488 a.a.

Struc: 233 a.a.

Protein chain

P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens

Seq: 488 a.a.

Struc: 52 a.a.

Enzyme reactions

• Enzyme class: Chains A, B: E.C.3.4.21.6 - coagulation factor Xa.
• Reaction: Preferential cleavage: Arg-|-Thr and then Arg-|-Ile bonds in prothrombin to form thrombin.

Bioorg Med Chem Lett 21:2133-2140 (2011)

PubMed id: 21345673

Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.

K.Yoshikawa, T.Yoshino, Y.Yokomizo, K.Uoto, H.Naito, K.Kawakami, A.Mochizuki, T.Nagata, M.Suzuki, H.Kanno, M.Takemura, T.Ohta.

ABSTRACT

No abstract given.