Brand  (β version)

PDB ID: 4NG9

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Ligands
Code Name Style Show Link
2KE (2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide PoSSuM
CA Calcium ion PoSSuM
GOL Glycerol PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4NG9   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide
Release Data : 2014-01-08
Compound :
mol_id molecule chains synonym
1 Factor VIIa (Heavy Chain) H Factor VII heavy chain, ACTIVATED FACTOR VIIA HEAVY CHAIN
ec: 3.4.21.21
fragment: UNP residues 213-466
mol_id molecule chains synonym
2 Factor VIIa (Light Chain) L FACTOR VIIA LIGHT CHAIN
fragment: UKNP residues 150-204
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Cricetulus griseus  (taxid:10029)
expression_system_common: Chinese hamster
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Cricetulus griseus  (taxid:10029)
gene: F7
expression_system_common: Chinese hamster
Authors : Wei, A., Anumula, R.
Keywords : GLYCOPROTEIN, HYDROLASE, SERINE PROTEASE, PLASMA, BLOOD COAGULATION FACTOR, PROTEIN INHIBITOR COMPLEX, CALCIUM-BINDING, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.2000 Å )
Citation :

Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.

Zhang, X.,Jiang, W.,Jacutin-Porte, S.  et al.
(2014)  ACS Med Chem Lett  5 : 188 - 192

PubMed: 24900796
DOI: 10.1021/ml400453z

Reaction

Chain : L
UniProt : P08709 (FA7_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Selective cleavage of Arg-|-Ile bond in factor X to form factor Xa. 3.4.21.21 -
-