1Z6J

Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (L)	Coagulation factor VII	polymer	142	16359.8	1	UniProt (P08709) Pfam (PF00594) Pfam (PF00008) Pfam (PF14670)	Homo sapiens (human)	Serum prothrombin conversion accelerator, SPCA, Proconvertin, Eptacog alfa
2	B (H)	Coagulation factor VII	polymer	254	28103.3	1	UniProt (P08709) Pfam (PF00089)	Homo sapiens (human)	Serum prothrombin conversion accelerator, SPCA, Proconvertin, Eptacog alfa
3	C (T)	Tissue factor	polymer	211	23820.4	1	UniProt (P13726) Pfam (PF01108) Pfam (PF09294)	Homo sapiens (human)	TF, Coagulation factor III, Thromboplastin, CD142 antigen
4	D, F (L, H)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
5	E (L)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
6	G (H)	5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE	non-polymer		652.7	1	Chemie (PY3) PubChem (5388938)
7	H, I, J (L, H, T)	water	water		18.0	389	Chemie (HOH)

Sequence modifications

L: 1 - 142 (UniProt: P08709)

PDB	External Database	Details
Cgu 6	Glu 66	modified residue
Cgu 7	Glu 67	modified residue
Cgu 14	Glu 74	modified residue
Cgu 16	Glu 76	modified residue
Cgu 19	Glu 79	modified residue
Cgu 20	Glu 80	modified residue
Cgu 25	Glu 85	modified residue
Cgu 26	Glu 86	modified residue
Cgu 29	Glu 89	modified residue
Cgu 35	Glu 95	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	68283.5
Non-Polymers*	Number of molecules	4
	Total formula weight	757.2
All*	Total formula weight	69040.7

*Water molecules are not included.