2E7L

Structure of a high-affinity mutant of the 2C TCR in complex with Ld/QL9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cytotoxic Tcell receptor	polymer	113	12698.2	2	UniProt (A2NTU7) Pfam (PF07686) In PDB	Mus musculus (house mouse)	V alpha, T cell receptor alpha chain
2	C, D	Beta-chain	polymer	121	13268.4	2	UniProt (A2NTY6) Pfam (PF07686) In PDB	Mus musculus (house mouse)	V beta, T cell receptor beta chain
3	E, F	H-2 class I histocompatibility antigen, L-D alpha chain	polymer	181	21205.5	2	UniProt (P01897) Pfam (PF00129) In PDB	Mus musculus (house mouse)	Major Histocompatibility Complex protein
4	P, Q	Peptide (GLN)(LEU)(SER)(PRO)(PHE)(PRO)(PHE)(ASP)(LEU)	polymer	9	1063.2	2
5		water	water		18.0	173	Chemie (HOH)

Sequence modifications

A, B: 1 - 117 (UniProt: A2NTU7)

PDB	External Database	Details
Pro 43	Leu 63	engineered mutation
Arg 82	Trp 102	engineered mutation
His 99	Gly 114	engineered mutation
Gln 100	Phe 115	engineered mutation
Gly 101	Ala 116	engineered mutation
Arg 102	Ser 117	engineered mutation
Tyr 103	Ala 118	engineered mutation
Asn 118	-	SEE REMARK 999

C, D: 1 - 117 (UniProt: A2NTY6)

PDB	External Database	Details
Glu 17	Gly 46	engineered mutation
Glu 42	Gly 71	engineered mutation
Tyr 47	His 76	engineered mutation
Thr 78	Ile 106	engineered mutation
Ser 81	Leu 109	engineered mutation
-	Glu 124	deletion
-	Leu 125	deletion
-	Phe 128	deletion
-	Asn 129	deletion
-	Gln 130	deletion
Gly 97	Asp 131	engineered mutation
Leu 106	Gln 133	engineered mutation
Ala 110	Pro 137	engineered mutation
Ser 115	Leu 142	engineered mutation
Ser 118	-	SEE REMARK 999
Ser 119	-	SEE REMARK 999
Ala 120	-	SEE REMARK 999
Leu 121	-	SEE REMARK 999
Glu 122	-	SEE REMARK 999
His 123	-	SEE REMARK 999
His 124	-	SEE REMARK 999
His 125	-	SEE REMARK 999
His 126	-	SEE REMARK 999
His 127	-	SEE REMARK 999
His 128	-	SEE REMARK 999

E, F: 1 - 181 (UniProt: P01897)

PDB	External Database	Details
Arg 15	Pro 39	engineered mutation
Asp 30	Asn 54	engineered mutation
Val 49	Ala 73	engineered mutation
Val 66	Ile 90	engineered mutation
Arg 97	Trp 121	engineered mutation
Arg 131	Lys 155	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	96470.7
All*	Total formula weight	96470.7

*Water molecules are not included.