PDBsum entry 4a7i

Hydrolase

PDB id: 4a7i

Contents

Protein chains

53 a.a.

234 a.a.

Ligands

A7I

Metals

_CA

Waters ×206

PDB id:

4a7i

Name:

Hydrolase

Title:

Factor xa in complex with a potent 2-amino-ethane sulfonamide inhibitor

Structure:

Factor x light chain. Chain: a. Fragment: des-gla factor x light chain, residues 84-179. Synonym: factor xa, coagulation factor x, stuart factor, stuart- prower factor. Other_details: made des-gla by chymotrypsin cleavage. Activated factor xa heavy chain xa. Chain: b. Fragment: activated factor x heavy chain, residues 235-488.

Source:

Homo sapiens. Human. Organism_taxid: 9606. Tissue: blood. Tissue: blood

Resolution:

2.40Å R-factor: 0.198 R-free: 0.253

Authors:

M.Nazare,H.Matter,D.W.Will,M.Wagner,M.Urmann,J.Czech,H.Schreuder, A.Bauer,K.Ritter,V.Wehner

Key ref:

M.Nazaré et al. (2012). Fragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexes. Angew Chem Int Ed Engl, 51, 905-911. PubMed id: 22190348

Date:

14-Nov-11 Release date: 01-Feb-12

Protein chain

P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens

Seq: 488 a.a.

Struc: 53 a.a.

Protein chain

P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens

Seq: 488 a.a.

Struc: 234 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.

Angew Chem Int Ed Engl 51:905-911 (2012)

PubMed id: 22190348

Fragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexes.

M.Nazaré, H.Matter, D.W.Will, M.Wagner, M.Urmann, J.Czech, H.Schreuder, A.Bauer, K.Ritter, V.Wehner.

ABSTRACT

No abstract given.