3NIF

The Closed Headpiece of Integrin IIb 3 and its Complex with an IIb 3 -Specific Antagonist That Does Not Induce Opening

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Integrin alphaIIB beta3	polymer	457	49516.0	2	UniProt (P08514) Pfam (PF01839) In PDB	Homo sapiens (human)	Platelet membrane glycoprotein IIb, GPalpha IIb, GPIIb, Integrin alpha-IIb heavy chain
2	B, D	Integrin beta-3	polymer	471	51958.8	2	UniProt (P05106) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) In PDB	Homo sapiens (human)	Platelet membrane glycoprotein IIIa, GPIIIa, CD61
3	E, H	Monoclonal antibody 10E5 heavy chain	polymer	221	23766.5	2		Mus musculus (mouse)
4	F, L	Monoclonal antibody 10E5 light chain	polymer	214	23332.7	2		Mus musculus (mouse)
5	G	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G48068RF)
6	I, K	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
7	J	alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G62182OO)
8	B, C, A, D	CALCIUM ION	non-polymer		40.1	12	Chemie (CA)
9	C, A	2-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one	non-polymer		265.3	2	Chemie (NIF)
10	B, A, D	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
11	A, D, H, L, B...	SULFATE ION	non-polymer		96.1	18	Chemie (SO4)
12	B, D	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
13	B, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
14		water	water		18.0	790	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	297147.8
Branched	Number of molecules	4
	Total formula weight	2184.0
Non-Polymers*	Number of molecules	44
	Total formula weight	3968.5
All*	Total formula weight	303300.4

*Water molecules are not included.