2P5E

Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC Reveal Native Diagonal Binding Geometry

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	HLA class I histocompatibility antigen, A-2 alpha chain	polymer	276	31951.3	1	UniProt (P01892) Pfam (PF00129) Pfam (PF07654) UniProt (by SIFTS) (A0A140T913)	Homo sapiens (human)	MHC class I antigen A*2
2	B (B)	Beta-2-microglobulin	polymer	100	11853.3	1	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)
3	C (C)	Cancer/testis antigen 1B	polymer	9	1094.3	1	UniProt (P78358)		L antigen family member 2, LAGE-2 protein, Autoimmunogenic cancer/testis antigen NY-ESO-1
4	D (D)	T-Cell Receptor, Alpha Chain	polymer	195	21406.8	1	UniProt (A2NVQ1) Pfam (PF07686) UniProt (by SIFTS) (A0A0B4J279)	Homo sapiens (human)
5	E (E)	Hypothetical protein	polymer	242	27218.3	1	UniProt (Q2YDB4) Pfam (PF07654) UniProt (by SIFTS) (P01850)	Homo sapiens (human)
6	F, G, H, I, J... (A, B, E)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL) PubChem (753)
7	K (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
8	L, O, P, Q, R (B, D, E)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
9	N (C)	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA) PubChem (3776)
10	S (E)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE) PubChem (23831)
11	V, W, X, Y, Z (A, B, C, D, E)	water	water		18.0	739	Chemie (HOH)

Sequence modifications

B: 2 - 99 (UniProt: P61769)

PDB	External Database	Details
Met 0	-	insertion
Cys 91	Lys 111	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	93524.1
Non-Polymers*	Number of molecules	16
	Total formula weight	1539.8
All*	Total formula weight	95063.8

*Water molecules are not included.