4WK2

Metal Ion and Ligand Binding of Integrin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Integrin alpha-5	polymer	452	48116.9	1	UniProt (P08648) Pfam (PF01839) In PDB	Homo sapiens (Human)	CD49 antigen-like family member E,Fibronectin receptor subunit alpha,Integrin alpha-F,VLA-5
2	B	Integrin beta-1	polymer	445	49502.9	1	UniProt (P05556) Pfam (PF17205) Pfam (PF00362) In PDB	Homo sapiens (Human)	Fibronectin receptor subunit beta,Glycoprotein IIa,GPIIA,VLA-4 subunit beta
3	C	GLY-ARG-GLY-ASP-SER-PRO	polymer	6	588.6	1		Homo sapiens
4	D	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[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		1235.1	1	In PDB GlyTouCan (G55220VL)
5	E, G, H, I	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
6	F	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		748.7	1	In PDB GlyTouCan (G22573RC)
7	A, B	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
8	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
9	B	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
10		water	water		18.0	164	Chemie (HOH)

Sequence modifications

A: 1 - 452 (UniProt: P08648)

PDB	External Database	Details
Val 451	Ile 492	engineered mutation

B: 1 - 445 (UniProt: P05556)

PDB	External Database	Details
Thr 195	Ser 215	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	98208.3
Branched	Number of molecules	6
	Total formula weight	3681.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1149.6
All*	Total formula weight	103039.3

*Water molecules are not included.