6R2W

Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	L	Coagulation factor VII	polymer	143	16489.0	1	UniProt (P08709) Pfam (PF00594) Pfam (PF00008) Pfam (PF14670) In PDB	Homo sapiens (Human)	Proconvertin,Serum prothrombin conversion accelerator,SPCA
2	H	Coagulation factor VII	polymer	249	27510.6	1	UniProt (P08709) Pfam (PF00089) In PDB	Homo sapiens (Human)	Proconvertin,Serum prothrombin conversion accelerator,SPCA
3	T	Tissue factor	polymer	210	23763.4	1	UniProt (P13726) Pfam (PF01108) Pfam (PF09294) In PDB	Homo sapiens (Human)	TF,Coagulation factor III,Thromboplastin
4	A	alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose	branched		444.4	1	In PDB GlyTouCan (G41179DF)
5	L, H	CALCIUM ION	non-polymer		40.1	9	Chemie (CA)
6	L	alpha-L-fucopyranose	non-polymer		164.2	1	Chemie (FUC)
7	L, H, T	TETRAMETHYLAMMONIUM ION	non-polymer		74.1	10	Chemie (TMA)
8	H	N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide	non-polymer		546.1	1	Chemie (0Z7)
9		water	water		18.0	714	Chemie (HOH)

Sequence modifications

H: 16 - 264 (UniProt: P08709)

PDB	External Database	Details
Val 168	Leu 365	conflict
-	Leu 371	deletion
-	Gln 372	deletion
-	Gln 373	deletion
-	Ser 374	deletion
-	Arg 375	deletion
Glu 174	Lys 376	engineered mutation
Ala 175	Val 377	engineered mutation
Ser 176	Gly 378	engineered mutation
Tyr 177	Asp 379	engineered mutation
Pro 178	Ser 380	engineered mutation
Gly 179	Pro 381	engineered mutation
Lys 180	Asn 382	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	67762.9
Branched	Number of molecules	1
	Total formula weight	444.4
Non-Polymers*	Number of molecules	21
	Total formula weight	1812.4
All*	Total formula weight	70019.7

*Water molecules are not included.