7UMG

Crystal structure of human CD8aa-MR1-Ac-6-FP complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Major histocompatibility complex class I-related gene protein	polymer	271	31711.7	1	UniProt (Q95460) Pfam (PF00129) Pfam (PF07654)	Homo sapiens (human)	MHC class I-related gene protein,Class I histocompatibility antigen-like protein
2	B (B)	Beta-2-microglobulin	polymer	100	11879.4	1	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)
3	C, D (C, D)	T-cell surface glycoprotein CD8 alpha chain	polymer	127	14420.3	2	UniProt (P01732) Pfam (PF07686)	Homo sapiens (human)	T-lymphocyte differentiation antigen T8/Leu-2
4	E (A)	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide	non-polymer		233.2	1	Chemie (30W)
5	F (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	G (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	H, I, J, K (A, B, C, D)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 1 - 270 (UniProt: Q95460)

PDB	External Database	Details
Met 0	-	initiating methionine
Ser 261	Cys 283	conflict

B: 1 - 99 (UniProt: P61769)

PDB	External Database	Details
Met 0	-	initiating methionine

C, D: 1 - 120 (UniProt: P01732)

PDB	External Database	Details
Met 0	-	initiating methionine
Ser 33	Cys 54	conflict
His 121	-	expression tag
His 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	72431.6
Non-Polymers*	Number of molecules	3
	Total formula weight	363.6
All*	Total formula weight	72795.2

*Water molecules are not included.