8ASE

Crystal structure of Thrombin in complex with macrocycle T3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	L, A	Thrombin light chain	polymer	36	4096.5	2	UniProt (P00734) Pfam (PF09396) In PDB	Homo sapiens (human)
2	H, B	Thrombin heavy chain	polymer	259	29780.2	2	UniProt (P00734) Pfam (PF00089) In PDB	Homo sapiens (human)
3	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	H, B	(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione	non-polymer		586.2	2	Chemie (NWR)
5	H, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
7		water	water		18.0	77	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	67753.5
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1585.8
All*	Total formula weight	69763.7

*Water molecules are not included.