3QIB

Crystal structure of the 2B4 TCR in complex with MCC/I-Ek

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	H-2 class II histocompatibility antigen, E-K alpha chain	polymer	193	22491.2	1	UniProt (P04224) Pfam (PF00993) Pfam (PF07654)	Mus musculus (mouse)
2	B (B)	MHC class II E-beta-k	polymer	202	23344.9	1	UniProt (Q31163) Pfam (PF00969) Pfam (PF07654) UniProt (by SIFTS) (P04230)	Mus musculus (mouse)
3	C (C)	T-cell receptor alpha chain C region	polymer	207	22807.1	1	Pfam (PF09291) UniProt (by SIFTS) (P01848)	Homo sapiens (human)
4	D (D)	2B4 beta chain	polymer	270	30288.9	1		Mus musculus
5	E (P)	MCC peptide	polymer	13	1393.6	1	UniProt (P00039)	Manduca sexta
6	F, I (B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	G, J (B, C)	alpha-L-fucopyranose	non-polymer		164.2	2	Chemie (FUC)
8	H, L, M, N, O... (B, C, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
9	K (C)	beta-D-mannopyranose	non-polymer		180.2	1	Chemie (BMA)
10	R, S, T, U, V (A, B, C, D, P)	water	water		18.0	106	Chemie (HOH)

Sequence modifications

A: 1 - 191 (UniProt: P04224)

PDB	External Database	Details
Ser 192	-	expression tag
Arg 193	-	expression tag

B: 3 - 198 (UniProt: Q31163)

PDB	External Database	Details
Gly -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag
Gly 2	-	expression tag

P: 2 - 13 (UniProt: P00039)

PDB	External Database	Details
Gly 14	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	100325.8
Non-Polymers*	Number of molecules	12
	Total formula weight	1693.7
All*	Total formula weight	102019.6

*Water molecules are not included.