4NDM

Structure of the AB18.1 TCR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	T-cell gamma protein,T-cell receptor beta-2 chain C region	polymer	258	29324.7	1	UniProt (A2NUW5) UniProt (A0A0G2JNG9) Pfam (PF07686) Pfam (PF07654) UniProt (by SIFTS) (K7N5M4)	Homo sapiens (Human)
2	B (B)	Human nkt tcr alpha chain	polymer	235	26382.4	1	UniProt (Q6PJ56) UniProt (K7N5M3) Pfam (PF07686) Pfam (PF09291)	Homo sapiens	Human nkt tcr beta chain
3	C (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 2 - 116 (UniProt: A2NUW5)

PDB	External Database	Details
Ala -1	-	expression tag
Asp 0	-	expression tag
Pro 1	-	expression tag
Asn 102	Gln 119	conflict
Asn 103	Asp 120	conflict

A: 117 - 245 (UniProt: A0A0G2JNG9)

PDB	External Database	Details
Cys 173	Ser 192	engineered mutation
Ala 191	Cys 210	engineered mutation
Asp 246	-	expression tag
Ser 247	-	expression tag
Arg 248	-	expression tag
Gly 249	-	expression tag
Gly 250	-	expression tag
Leu 251	-	expression tag
Glu 252	-	expression tag
Val 253	-	expression tag
Leu 254	-	expression tag
Phe 255	-	expression tag
Gln 256	-	expression tag

B: 1 - 120 (UniProt: Q6PJ56)

PDB	External Database	Details
Ala -10	-	expression tag
Asp -9	-	expression tag
Leu -8	-	expression tag
Ser -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Glu -3	-	expression tag
Glu -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Asp 95	Glu 115	conflict
Gln 96	Ser 116	conflict
Ile 97	Phe 117	conflict
-	Pro 119	deletion
-	Phe 120	deletion
Tyr 99	Arg 121	conflict
Trp 100	Gly 122	conflict
Gly 101	Asn 123	conflict
Leu 102	Phe 124	conflict
Ser 103	His 125	conflict
His 104	Tyr 126	conflict
Asn 121	-	linker

B: 122 - 224 (UniProt: K7N5M3)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55707.1
All*	Total formula weight	55707.1

*Water molecules are not included.