4LCC

Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (C)	Beta-2-microglobulin, MHC class I-related protein	polymer	392	45265.6	1	UniProt (C1ITJ8) UniProt (P01888) Pfam (PF07654) Pfam (PF00129)	Bos taurus (bovine cow domestic cattle domestic cow)
2	B (A)	Human MAIT TCR alpha chain	polymer	208	23164.7	1	Pfam (PF07686) Pfam (PF09291) UniProt (by SIFTS) (Q6P4G7)	Homo sapiens (human)
3	C (B)	Human MAIT TCR beta chain	polymer	253	28291.4	1	Pfam (PF07654) UniProt (by SIFTS) (P01850)	Homo sapiens (human)
4	D (C)	1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol	non-polymer		328.3	1	Chemie (1XL)
5	E, F, G, H (C, A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
6	I (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

C: 114 - 390 (UniProt: C1ITJ8)

PDB	External Database	Details
Met 185	Ala 90	engineered mutation
Gln 260	Arg 165	engineered mutation
Leu 264	Gln 169	engineered mutation
Gly 391	-	expression tag
Gly 392	-	expression tag

C: 1 - 98 (UniProt: P01888)

PDB	External Database	Details
Gly 99	-	linker
Gly 100	-	linker
Gly 101	-	linker
Gly 102	-	linker
Ser 103	-	linker
Gly 104	-	linker
Gly 105	-	linker
Ser 106	-	linker
Gly 107	-	linker
Ser 108	-	linker
Gly 109	-	linker
Gly 110	-	linker
Gly 111	-	linker
Gly 112	-	linker
Ser 113	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	96721.7
Non-Polymers*	Number of molecules	5
	Total formula weight	712.5
All*	Total formula weight	97434.2

*Water molecules are not included.