4P2O

Crystal structure of the 2B4 TCR in complex with 2A/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	H-2 class II histocompatibility antigen, E-K alpha chain	polymer	204	23618.5	1	UniProt (P04224) Pfam (PF00993) Pfam (PF07654) In PDB	Mus musculus (Mouse)
2	B	MHC class II E-beta-k	polymer	236	26747.8	1	UniProt (Q31163) Pfam (PF00969) Pfam (PF07654) In PDB	Mus musculus (Mouse)
3	C	2B4 T-cell receptor alpha chain	polymer	220	24104.5	1		Mus musculus
4	D	2B4 T-cell receptor beta chain	polymer	255	29007.5	1		Mus musculus
5	P	2A peptide	polymer	22	2078.3	1		synthetic construct
6	E	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		716.7	1	In PDB GlyTouCan (G63564LA)
7	A, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
8		water	water		18.0	118	Chemie (HOH)

Sequence modifications

A: 1 - 191 (UniProt: P04224)

PDB	External Database	Details
Ala -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Ser 192	-	expression tag
Arg 193	-	expression tag
Gly 194	-	expression tag
Gly 195	-	expression tag
Leu 196	-	expression tag
Glu 197	-	expression tag
Val 198	-	expression tag
Leu 199	-	expression tag
Phe 200	-	expression tag
Gln 201	-	expression tag

B: 3 - 198 (UniProt: Q31163)

PDB	External Database	Details
Ala -27	-	expression tag
Asp -26	-	expression tag
Pro -25	-	expression tag
Ala -24	-	expression tag
Asp -23	-	expression tag
Pro -22	-	expression tag
Leu -21	-	expression tag
Ala -20	-	expression tag
Phe -19	-	expression tag
Phe -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
Ala -15	-	expression tag
Ile -14	-	expression tag
Lys -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag
Gly 2	-	expression tag
Ser 199	-	expression tag
Arg 200	-	expression tag
Gly 201	-	expression tag
Gly 202	-	expression tag
Leu 203	-	expression tag
Glu 204	-	expression tag
Val 205	-	expression tag
Leu 206	-	expression tag
Phe 207	-	expression tag
Gln 208	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	105556.5
Branched	Number of molecules	1
	Total formula weight	716.7
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	106936.8

*Water molecules are not included.