4UM8

Crystal structure of alpha V beta 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	INTEGRIN ALPHA-V	polymer	681	75125.1	2	UniProt (P06756) Pfam (PF01839) Pfam (PF08441)	HOMO SAPIENS (HUMAN)	VITRONECTIN RECEPTOR SUBUNIT ALPHA, INTEGRIN ALPHA V
2	B, D (B, D)	INTEGRIN BETA-6	polymer	788	86018.9	2	UniProt (P18564) Pfam (PF07965) Pfam (PF08725) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) Pfam (PF07974)	HOMO SAPIENS (HUMAN)	INTEGRIN BETA 6
3	E, Q (E, Q)	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	2	In PDB GlyTouCan (G22573RC)
4	F (F)	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 (G10756ZZ)
5	G, M (G, M)	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	2	In PDB GlyTouCan (G09724ZC)
6	H, K (H, K)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
7	I (I)	alpha-D-mannopyranose-(1-6)-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 (G94626GC)
8	J, L, P (J, L, P)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
9	N (N)	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)
10	O (O)	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)
11	EA, FA, R (C, A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
12	S, T, U (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
13	V (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
14	CA, GA, HA, IA, JA... (B, C, D, A)	CALCIUM ION	non-polymer		40.1	10	Chemie (CA)
15	AA, KA (B, D)	CACODYLATE ION	non-polymer		137.0	2	Chemie (CAC)
16	BA, LA (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
17	DA, NA, OA (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
18	PA, QA, RA, SA (A, B, C, D)	water	water		18.0	161	Chemie (HOH)

Sequence modifications

A, C: 1 - 595 (UniProt: P06756)

PDB	External Database	Details
Thr 596	-	expression tag
Gly 597	-	expression tag
Gly 598	-	expression tag
Leu 599	-	expression tag
Glu 600	-	expression tag
Val 601	-	expression tag
Leu 602	-	expression tag
Phe 603	-	expression tag
Gln 604	-	expression tag
Gly 605	-	expression tag
Pro 606	-	expression tag
Gly 607	-	expression tag
Glu 608	-	expression tag
Asn 609	-	expression tag
Ala 610	-	expression tag
Gln 611	-	expression tag
Leu 612	-	expression tag
Glu 613	-	expression tag
Lys 614	-	expression tag
Glu 615	-	expression tag
Leu 616	-	expression tag
Gln 617	-	expression tag
Ala 618	-	expression tag
Leu 619	-	expression tag
Glu 620	-	expression tag
Lys 621	-	expression tag
Glu 622	-	expression tag
Asn 623	-	expression tag
Ala 624	-	expression tag
Gln 625	-	expression tag
Leu 626	-	expression tag
Glu 627	-	expression tag
Trp 628	-	expression tag
Glu 629	-	expression tag
Leu 630	-	expression tag
Gln 631	-	expression tag
Ala 632	-	expression tag
Leu 633	-	expression tag
Glu 634	-	expression tag
Lys 635	-	expression tag
Glu 636	-	expression tag
Leu 637	-	expression tag
Ala 638	-	expression tag
Gln 639	-	expression tag
Thr 640	-	expression tag
Thr 641	-	expression tag
Gly 642	-	expression tag
Trp 643	-	expression tag
Arg 644	-	expression tag
Gly 645	-	expression tag
Gly 646	-	expression tag
His 647	-	expression tag
Val 648	-	expression tag
Val 649	-	expression tag
Glu 650	-	expression tag
Gly 651	-	expression tag
Leu 652	-	expression tag
Ala 653	-	expression tag
Gly 654	-	expression tag
Glu 655	-	expression tag
Leu 656	-	expression tag
Glu 657	-	expression tag
Gln 658	-	expression tag
Leu 659	-	expression tag
Arg 660	-	expression tag
Ala 661	-	expression tag
Arg 662	-	expression tag
Leu 663	-	expression tag
Glu 664	-	expression tag
His 665	-	expression tag
His 666	-	expression tag
Pro 667	-	expression tag
Gln 668	-	expression tag
Gly 669	-	expression tag
Gln 670	-	expression tag
Arg 671	-	expression tag
Glu 672	-	expression tag
Pro 673	-	expression tag
Ala 674	-	expression tag
Gly 675	-	expression tag
His 676	-	expression tag
His 677	-	expression tag
His 678	-	expression tag
His 679	-	expression tag
His 680	-	expression tag
His 681	-	expression tag
Cys 400	Met 430	engineered mutation

B, D: -16 - 771 (UniProt: P18564)

PDB	External Database	Details
Cys 270	Ile 287	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	322288.0
Branched	Number of molecules	13
	Total formula weight	9895.0
Non-Polymers*	Number of molecules	24
	Total formula weight	1840.2
All*	Total formula weight	334023.3

*Water molecules are not included.