1JMO

Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	L	Thrombin, light chain	polymer	48	5484.0	1	UniProt (P00734) Pfam (PF09396) In PDB	Homo sapiens (human)	COAGULATION FACTOR II
2	H	Thrombin, heavy chain	polymer	260	29921.4	1	UniProt (P00734) Pfam (PF00089) In PDB	Homo sapiens (human)	COAGULATION FACTOR II
3	A	HEPARIN COFACTOR II	polymer	480	55187.0	1	UniProt (P05546) Pfam (PF00079) In PDB	Homo sapiens (human)	HC-II; PROTEASE INHIBITOR LEUSERPIN 2; HLS2; serine (or cysteine) proteinase inhibitor, clade D (heparin cofactor), member 1
4	B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	H	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	H, A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	5	Chemie (MPD)
7	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8		water	water		18.0	208	Chemie (HOH)

Sequence modifications

H: 15 - 247 (UniProt: P00734)

PDB	External Database	Details
Ala 195	Ser 568	engineered mutation

A: 1 - 480 (UniProt: P05546)

PDB	External Database	Details
Tys 60	Tyr 79	modified residue
Tys 73	Tyr 92	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	90592.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1056.3
All*	Total formula weight	92073.0

*Water molecules are not included.