7RNO

Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD

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	31724.5	1	UniProt (Q95460) UniProt (C1ITJ8) 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	99	11784.3	1	UniProt (P01888) Pfam (PF07654)	Bos taurus (Bovine)	Lactollin
3	C (C)	TAP binding protein-like variant	polymer	396	42608.2	1	UniProt (Q53GH5) Pfam (PF07686) Pfam (PF07654) UniProt (by SIFTS) (Q9BX59)	Homo sapiens (Human)
4	D (A)	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide	non-polymer		233.2	1	Chemie (30W)

Sequence modifications

A: 2 - 180 (UniProt: Q95460)

PDB	External Database	Details
Met 1	-	initiating methionine

A: 181 - 271 (UniProt: C1ITJ8)
B: 2 - 99 (UniProt: P01888)

PDB	External Database	Details
Met 1	-	initiating methionine

C: 1 - 384 (UniProt: Q53GH5)

PDB	External Database	Details
3x9 30	Leu 51	conflict
Trp 120	Arg 141	conflict
Leu 385	-	expression tag
Glu 386	-	expression tag
Gly 387	-	expression tag
Gly 388	-	expression tag
Leu 389	-	expression tag
Glu 390	-	expression tag
Val 391	-	expression tag
Leu 392	-	expression tag
Phe 393	-	expression tag
Gln 394	-	expression tag
Gly 395	-	expression tag
Pro 396	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	86117.0
Non-Polymers*	Number of molecules	1
	Total formula weight	233.2
All*	Total formula weight	86350.2

*Water molecules are not included.