9P95

CryoEM structure of integrin alpha4beta7 bound to MAdCAM-1

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-4	polymer	1023	113632.5	1	UniProt (P13612) Pfam (PF01839) Pfam (PF08441) Pfam (PF20805) Pfam (PF20806)	Homo sapiens (human)	CD49 antigen-like family member D,Integrin alpha-IV,VLA-4 subunit alpha
2	B (B)	Integrin beta-7	polymer	776	84538.8	1	UniProt (P26010) Pfam (PF17205) Pfam (PF00362) Pfam (PF07974)	Homo sapiens (human)	Gut homing receptor beta subunit
3	C (C)	Mucosal addressin cell adhesion molecule 1	polymer	370	39205.1	1	UniProt (Q13477) Pfam (PF09085)	Homo sapiens (human)	MAdCAM-1,hMAdCAM-1
4	D (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)
5	E, F, G (E, F, G)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	3	In PDB GlyTouCan (G15407YE)
6	H, O, P (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
7	I, J, K (A)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
8	L, M, N (B)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)

Sequence modifications

A: -32 - 937 (UniProt: P13612)

PDB	External Database	Details
Gly 938	-	expression tag
Thr 939	-	expression tag
Gly 940	-	expression tag
Gly 941	-	expression tag
Leu 942	-	expression tag
Glu 943	-	expression tag
Val 944	-	expression tag
Leu 945	-	expression tag
Phe 946	-	expression tag
Gln 947	-	expression tag
Gly 948	-	expression tag
Pro 949	-	expression tag
Gly 950	-	expression tag
Glu 951	-	expression tag
Asn 952	-	expression tag
Ala 953	-	expression tag
Gln 954	-	expression tag
Cys 955	-	expression tag
Glu 956	-	expression tag
Lys 957	-	expression tag
Glu 958	-	expression tag
Leu 959	-	expression tag
Gln 960	-	expression tag
Ala 961	-	expression tag
Leu 962	-	expression tag
Glu 963	-	expression tag
Lys 964	-	expression tag
Glu 965	-	expression tag
Asn 966	-	expression tag
Ala 967	-	expression tag
Gln 968	-	expression tag
Leu 969	-	expression tag
Glu 970	-	expression tag
Trp 971	-	expression tag
Glu 972	-	expression tag
Leu 973	-	expression tag
Gln 974	-	expression tag
Ala 975	-	expression tag
Leu 976	-	expression tag
Glu 977	-	expression tag
Lys 978	-	expression tag
Glu 979	-	expression tag
Leu 980	-	expression tag
Ala 981	-	expression tag
Gln 982	-	expression tag
Trp 983	-	expression tag
Ser 984	-	expression tag
His 985	-	expression tag
Pro 986	-	expression tag
Gln 987	-	expression tag
Phe 988	-	expression tag
Glu 989	-	expression tag
Lys 990	-	expression tag

B: -18 - 704 (UniProt: P26010)

PDB	External Database	Details
Asp 705	-	expression tag
Thr 706	-	expression tag
Ser 707	-	expression tag
Gly 708	-	expression tag
Leu 709	-	expression tag
Glu 710	-	expression tag
Val 711	-	expression tag
Leu 712	-	expression tag
Phe 713	-	expression tag
Gln 714	-	expression tag
Gly 715	-	expression tag
Pro 716	-	expression tag
Gly 717	-	expression tag
Lys 718	-	expression tag
Asn 719	-	expression tag
Ala 720	-	expression tag
Gln 721	-	expression tag
Cys 722	-	expression tag
Lys 723	-	expression tag
Lys 724	-	expression tag
Lys 725	-	expression tag
Leu 726	-	expression tag
Gln 727	-	expression tag
Ala 728	-	expression tag
Leu 729	-	expression tag
Lys 730	-	expression tag
Lys 731	-	expression tag
Lys 732	-	expression tag
Asn 733	-	expression tag
Ala 734	-	expression tag
Gln 735	-	expression tag
Leu 736	-	expression tag
Lys 737	-	expression tag
Trp 738	-	expression tag
Lys 739	-	expression tag
Leu 740	-	expression tag
Gln 741	-	expression tag
Ala 742	-	expression tag
Leu 743	-	expression tag
Lys 744	-	expression tag
Lys 745	-	expression tag
Lys 746	-	expression tag
Leu 747	-	expression tag
Ala 748	-	expression tag
Gln 749	-	expression tag
Gly 750	-	expression tag
Gly 751	-	expression tag
His 752	-	expression tag
His 753	-	expression tag
His 754	-	expression tag
His 755	-	expression tag
His 756	-	expression tag
His 757	-	expression tag

C: -21 - 295 (UniProt: Q13477)

PDB	External Database	Details
Asp 296	-	expression tag
Thr 297	-	expression tag
Ser 298	-	expression tag
Gly 299	-	expression tag
Leu 300	-	expression tag
Glu 301	-	expression tag
Val 302	-	expression tag
Leu 303	-	expression tag
Phe 304	-	expression tag
Gln 305	-	expression tag
Gly 306	-	expression tag
Pro 307	-	expression tag
Gly 308	-	expression tag
Lys 309	-	expression tag
Asn 310	-	expression tag
Ala 311	-	expression tag
Gln 312	-	expression tag
Cys 313	-	expression tag
Lys 314	-	expression tag
Lys 315	-	expression tag
Lys 316	-	expression tag
Leu 317	-	expression tag
Gln 318	-	expression tag
Ala 319	-	expression tag
Leu 320	-	expression tag
Lys 321	-	expression tag
Lys 322	-	expression tag
Lys 323	-	expression tag
Asn 324	-	expression tag
Ala 325	-	expression tag
Gln 326	-	expression tag
Leu 327	-	expression tag
Lys 328	-	expression tag
Trp 329	-	expression tag
Lys 330	-	expression tag
Leu 331	-	expression tag
Gln 332	-	expression tag
Ala 333	-	expression tag
Leu 334	-	expression tag
Lys 335	-	expression tag
Lys 336	-	expression tag
Lys 337	-	expression tag
Leu 338	-	expression tag
Ala 339	-	expression tag
Gln 340	-	expression tag
Gly 341	-	expression tag
Gly 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag
His 347	-	expression tag
His 348	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	237376.3
Branched	Number of molecules	4
	Total formula weight	2508.3
Non-Polymers*	Number of molecules	9
	Total formula weight	948.7
All*	Total formula weight	240833.3

*Water molecules are not included.