3GIS

Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E	Prothrombin	polymer	49	5641.2	3	UniProt (P00734) Pfam (PF09396) In PDB	Homo sapiens (human)	Coagulation factor II, Activation peptide fragment 1, Activation peptide fragment 2, Thrombin light chain, Thrombin heavy chain
2	B, D, F	Prothrombin	polymer	259	29764.2	3	UniProt (P00734) Pfam (PF00089) In PDB	Homo sapiens (human)	Coagulation factor II, Activation peptide fragment 1, Activation peptide fragment 2, Thrombin light chain, Thrombin heavy chain
3	X, Y, Z	Thrombomodulin	polymer	121	12931.3	3	UniProt (P07204) Pfam (PF12662) In PDB	Homo sapiens (human)	TM, Fetomodulin
4	A, B, C, D, E...	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
5	Z, X, Y	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
6		water	water		18.0	575	Chemie (HOH)

Sequence modifications

B, D, F: 16 - 247 (UniProt: P00734)

PDB	External Database	Details
Ala 195	Ser 568	engineered mutation

X, Y, Z: 345 - 465 (UniProt: P07204)

PDB	External Database	Details
Leu 388	Met 406	engineered mutation
Gly 456	Arg 474	engineered mutation
Gln 457	His 475	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	145010.0
Non-Polymers*	Number of molecules	18
	Total formula weight	1561.2
All*	Total formula weight	146571.2

*Water molecules are not included.