Brand  (β version)

PDB ID: 2P3T

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Ligands
Code Name Style Show Link
993 3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide PoSSuM
CA Calcium ion PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
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Structure summary

Code : 2P3T   PDBj   RCSB PDB   PDBe
Header : BLOOD CLOTTING
Title : Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Release Data : 2008-01-22
Compound :
mol_id molecule chains synonym
1 Coagulation factor X A Stuart factor, Stuart-Prower factor
fragment: EGF-like 2 domain
mol_id molecule chains synonym
2 Coagulation factor X B Stuart factor, Stuart-Prower factor
ec: 3.4.21.6
fragment: CATALYTIC DOMAIN
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
other_details: EXTRACTED FROM BLOOD
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
other_details: EXTRACTED FROM BLOOD
Authors : Adler, M., Whitlow, M.
Keywords : protein inhibitor complex, nonamidine, coagulation cofactor, protease, BLOOD CLOTTING
Exp. method : X-RAY DIFFRACTION ( 1.92 Å )
Citation :

Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.

Ye, B.,Arnaiz, D.O.,Chou, Y.L.  et al.
(2007)  J.Med.Chem.  50 : 2967 - 2980

PubMed: 17536795
DOI: 10.1021/jm070125f

Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa

Adler, M.,Kochanny, M.J.,Bin, Y.  et al.
(2002)  Biochemistry  41 : 15514 - 15523

Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa

Kochanny, M.J.,Adler, M.,Ewing, J.  et al.
(2007)  Bioorg.Med.Chem.  15 : 2127 - 2146

Structure-activity relationships of substituted benzothiophene-anthranilamide factor Xa inhibitors

Chou, Y.L.,Davey, D.D.,Eagen, K.A.  et al.
(2003)  Bioorg.Med.Chem.Lett.  13 : 507 - 511

Preparation, Characterization and the Crystal Structure of the Inhibitor ZK-807834 (Ci-1031) Complexed with Factor Xa

Adler, M.,Davey, D.D.,Phillips, G.B.  et al.
(2000)  Biochemistry  39 : 12534 - 12542

Crystal Structures of Human Factor Xa Complexed with Potent Inhibitors

Maignan, S.,Guilloteau, J.P.,Pouzieux, S.  et al.
(2000)  J.Med.Chem.  43 : 3226 - 3232

Discovery of N-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-3,5-Difluoro- 6-[3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4-Yl]-N-Methylglycine (Zk-807834): A Potent, Selective, and Orally Active Inhibitor of the Blood Coagulation Enzyme Factor Xa

Phillips, G.B.,Buckman, B.O.,Davey, D.D.  et al.
(1998)  J.Med.Chem.  41 : 3557 - 3562

Reaction

Chain : B
UniProt : P00742 (FA10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Selective cleavage of Arg-|-Thr and then Arg-|-Ile bonds in prothrombin to form thrombin. 3.4.21.6 -
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