4UM9

Crystal structure of alpha V beta 6 with peptide

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 heavy chain	polymer	604	66413.5	2	UniProt (P06756) Pfam (PF01839) Pfam (PF08441)	Homo sapiens (human)
2	B (B)	Integrin beta-6	polymer	483	52989.2	1	UniProt (P18564) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372)	Homo sapiens (human)
3	D (D)	Integrin beta-6	polymer	483	52962.2	1	UniProt (P18564) Pfam (PF18372) Pfam (PF17205) Pfam (PF00362)	Homo sapiens (human)
4	E, F (E, F)	Latency-associated peptide	polymer	13	1265.5	2	UniProt (P10600)	Homo sapiens (human)	LAP
5	G, J, K, L, M... (G, J, K, L, M...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	6	In PDB GlyTouCan (G42666HT)
6	H (H)	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	I, N (I, N)	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)
8	O (O)	beta-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 (G15407YE)
9	EA, FA, Q, R, S... (C, A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
10	AA, GA, HA, IA, JA... (B, C, D, A)	CALCIUM ION	non-polymer		40.1	12	Chemie (CA)
11	NA, Y (D, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
12	BA, CA, DA, KA, MA... (B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
13	LA (C)	alpha-D-mannopyranose	non-polymer		180.2	1	Chemie (MAN)
14	TA, UA, VA, WA, XA (A, B, C, D, E)	water	water		18.0	230	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Cys 400	Met 430	conflict
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

B: 1 - 474 (UniProt: P18564)

PDB	External Database	Details
Cys 270	Ile 287	conflict
Asn 452	His 469	conflict
Ser 475	-	expression tag
Arg 476	-	expression tag
Gly 477	-	expression tag
Leu 478	-	expression tag
Gln 479	-	expression tag
Thr 480	-	expression tag
Leu 481	-	expression tag
Phe 482	-	expression tag
Gln 483	-	expression tag

D: 1 - 474 (UniProt: P18564)

PDB	External Database	Details
Thr 29	Gln 46	conflict
Cys 270	Ile 287	conflict
Asn 452	His 469	conflict
Ser 475	-	expression tag
Arg 476	-	expression tag
Gly 477	-	expression tag
Leu 478	-	expression tag
Gln 479	-	expression tag
Thr 480	-	expression tag
Leu 481	-	expression tag
Phe 482	-	expression tag
Gln 483	-	expression tag

E, F: 239 - 249 (UniProt: P10600)

PDB	External Database	Details
Ace 238	-	expression tag
Nh2 250	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	241309.3
Branched	Number of molecules	10
	Total formula weight	6027.6
Non-Polymers*	Number of molecules	29
	Total formula weight	3055.7
All*	Total formula weight	250392.6

*Water molecules are not included.