4WK0

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 (A)	Integrin alpha-5	polymer	452	48116.9	1	UniProt (P08648) Pfam (PF01839)	Homo sapiens (Human)	CD49 antigen-like family member E,Fibronectin receptor subunit alpha,Integrin alpha-F,VLA-5
2	B (B)	Integrin beta-1	polymer	445	49502.9	1	UniProt (P05556) Pfam (PF17205) Pfam (PF00362)	Homo sapiens (Human)	Fibronectin receptor subunit beta,Glycoprotein IIa,GPIIA,VLA-4 subunit beta
3	C (C)	ARG-GLY-ASP	polymer	3	347.3	1		Homo sapiens
4	D (D)	alpha-D-mannopyranose-(1-3)-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		1073.0	1	In PDB GlyTouCan (G09724ZC)
5	E, F, G, H (E, F, G, H)	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	I, J, K, L, P... (A, B)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
7	M, N, R, S (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
8	O (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
9	T, U, V (A, B, C)	water	water		18.0	629	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	97967.1
Branched	Number of molecules	5
	Total formula weight	2770.6
Non-Polymers*	Number of molecules	11
	Total formula weight	1149.6
All*	Total formula weight	101887.2

*Water molecules are not included.