1I3R

CRYSTAL STRUCTURE OF A MUTANT IEK CLASS II MHC MOLECULE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K ALPHA CHAIN	polymer	192	22359.1	4	UniProt (P04224) Pfam (PF00993) Pfam (PF07654)	Mus musculus (house mouse)
2	B, D, F, H (B, D, F, H)	FUSION PROTEIN CONSISTING OF MHC E-BETA-K PRECURSOR, GLYCINE RICH LINKER, AND HEMOGLOBIN BETA-2 CHAIN	polymer	228	25892.8	4	UniProt (P02089) GenBank (199396) Pfam (PF00969) Pfam (PF07654) UniProt (by SIFTS) (P04230)	Mus musculus (house mouse)
3	I, J, K, L (I, J, K, L)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	M, N, O, P, Q... (A, B, C, D, E...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
5	AA, BA, U, V, W... (G, H, A, B, C...)	water	water		18.0	319	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 192 (UniProt: P04224)

PDB	External Database	Details
Gln 11	Glu 36	engineered mutation
Asn 66	Asp 91	engineered mutation

B, D, F, H: 1 - 13 (UniProt: P02089)

PDB	External Database	Details
Arg -3	-	cloning artifact
Asp -2	-	cloning artifact
Ser -1	-	cloning artifact
Arg 0	-	cloning artifact
Gly 14	-	linker
Gly 15	-	linker
Gly 16	-	linker
Gly 17	-	linker
Ser 18	-	linker
Leu 19	-	linker
Val 20	-	linker
Gly 21	-	linker
Gly 22	-	linker
Gly 23	-	linker
Ser 24	-	linker
Gly 25	-	linker
Gly 26	-	linker
Gly 27	-	linker
Gly 28	-	linker

B, D, F, H: 29 - 224 (GenBank: 199396)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	193007.7
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1769.7
All*	Total formula weight	196474.9

*Water molecules are not included.