9XMM

Cryo-EM structure of Integrin alpha V beta 6 complex with a bicyclic inhibitory peptide

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-V heavy chain	polymer	595	65410.3	1	UniProt (P06756) Pfam (PF01839) Pfam (PF08441)	Homo sapiens (human)
2	B (B)	Integrin beta-6	polymer	474	51981.1	1	UniProt (P18564) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372)	Homo sapiens (human)
3	C (E)	ALA-TRP-ARG-GLY-ASP-CHG-CYS-ASN-PRO	polymer	9	1058.2	1		synthetic construct
4	D (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)	synthetic construct
5	E (D)	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)
6	F, G, H, I (A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA) PubChem (271)
7	J (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG) PubChem (24139)
8	K (A)	alpha-D-mannopyranose	non-polymer		180.2	1	Chemie (MAN) PubChem (185698)
9	L, M, N (B)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN) PubChem (27854)

Sequence modifications

A: 1 - 595 (UniProt: P06756)

PDB	External Database	Details
Gly 400	Met 430	conflict
Cys 401	-	insertion

B: 1 - 474 (UniProt: P18564)

PDB	External Database	Details
Cys 270	Ile 287	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	118449.6
Branched	Number of molecules	2
	Total formula weight	1173.1
Non-Polymers*	Number of molecules	9
	Total formula weight	726.5
All*	Total formula weight	120349.2

*Water molecules are not included.