5NHT

human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H	HLA class I histocompatibility antigen, A-2 alpha chain	polymer	276	31979.4	1	UniProt (P01892) Pfam (PF00129) Pfam (PF07654) UniProt (by SIFTS) (P04439) In PDB	Homo sapiens (Human)	MHC class I antigen A*2
2	L	Beta-2-microglobulin	polymer	100	11879.4	1	UniProt (P61769) Pfam (PF07654) In PDB	Homo sapiens (Human)
3	P	Melanoma antigen recognized by T-cells 1	polymer	10	985.2	1	UniProt (by SIFTS) (Q16655) In PDB	Homo sapiens	MART-1,Antigen LB39-AA,Antigen SK29-AA,Protein Melan-A,Melan-A/MART-1 (26-35) decapeptide
4	A	T-cell receptor alpha variable 12-2,T-cell receptor, sp3.4 alpha chain	polymer	211	23132.4	1	UniProt (A0A075B6T6) UniProt (K7N5N2) Pfam (PF07686) Pfam (PF09291) In PDB	Homo sapiens (Human)	T-cell receptor,sp3.4 beta chain
5	B	T-cell receptor beta variable 19,TRB protein	polymer	251	28292.4	1	UniProt (A0A5B3) UniProt (A0A0C4ZKA8) Pfam (PF07686) Pfam (PF07654) In PDB	Homo sapiens (Human)	V_segment translation product
6	H	THIOCYANATE ION	non-polymer		58.1	1	Chemie (SCN)
7	H	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
8	H	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
9		water	water		18.0	1	Chemie (HOH)

Sequence modifications

H: 1 - 276 (UniProt: P01892)

PDB	External Database	Details
Val 245	Ala 269	conflict

L: 1 - 99 (UniProt: P61769)

PDB	External Database	Details
Met 0	-	initiating methionine

A: 0 - 92 (UniProt: A0A075B6T6)

PDB	External Database	Details
Met -1	-	initiating methionine
Ser 49	Phe 70	conflict
Gly 92	Asn 113	linker

A: 93 - 202 (UniProt: K7N5N2)

PDB	External Database	Details
Asn 203	-	expression tag
Asp 204	-	expression tag
Gly 205	-	expression tag
Gly 206	-	expression tag
Gly 207	-	expression tag
Cys 208	-	expression tag
Lys 209	-	expression tag

B: 3 - 94 (UniProt: A0A5B3)

PDB	External Database	Details
Met 2	-	initiating methionine
Gln 95	-	linker
Gly 96	-	linker
Leu 97	-	linker
Ala 98	-	linker
Gly 99	-	linker
Ala 100	-	linker

B: 101 - 244 (UniProt: A0A0C4ZKA8)

PDB	External Database	Details
Cys 171	Ser 101	conflict
Gln 245	-	expression tag
Asp 246	-	expression tag
Arg 247	-	expression tag
Gly 248	-	expression tag
Gly 249	-	expression tag
Gly 250	-	expression tag
Cys 251	-	expression tag
Asp 252	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	96268.7
Non-Polymers*	Number of molecules	4
	Total formula weight	171.7
All*	Total formula weight	96440.5

*Water molecules are not included.