3T3P

A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS

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 alpha-IIb	polymer	457	49516.0	2	UniProt (P08514) Pfam (PF01839) In PDB	Homo sapiens (Human)	GPalpha IIb,GPIIb,Platelet membrane glycoprotein IIb
2	B, D	Integrin beta-3	polymer	472	52087.9	2	UniProt (P05106) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) In PDB	Homo sapiens (Human)	Platelet membrane glycoprotein IIIa,GPIIIa
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-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
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-(1-3)-beta-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 (G81315DD)
8	C, A, L	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
9	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10	C, D, A, B	CALCIUM ION	non-polymer		40.1	12	Chemie (CA)
11	C, D, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
12	D, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
13	D, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
14		water	water		18.0	1291	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	297406.1
Branched	Number of molecules	4
	Total formula weight	2508.3
Non-Polymers*	Number of molecules	28
	Total formula weight	1878.3
All*	Total formula weight	301792.7

*Water molecules are not included.