4UDU

Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	T CELL RECEPTOR ALPHA CHAIN, T-CELL RECEPTOR ALPHA CHAIN C REGION	polymer	206	22812.1	1	UniProt (P01848) Pfam (PF07686) Pfam (PF09291) UniProt (by SIFTS) (A0A0B4J277) In PDB	HOMO SAPIENS (HUMAN)
2	B	PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION	polymer	243	27765.8	1	UniProt (A0A5A3) UniProt (A0A5B9) Pfam (PF07686) Pfam (PF07654) In PDB	HOMO SAPIENS (HUMAN)	V_SEGMENT TRANSLATION PRODUCT
3	C	ENTEROTOXIN TYPE E	polymer	233	26806.9	1	UniProt (P12993) Pfam (PF01123) Pfam (PF02876) In PDB	STAPHYLOCOCCUS AUREUS	SEE
4	C	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	C	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6		water	water		18.0	50	Chemie (HOH)

Sequence modifications

A: 1 - 112 (PDB: 4UDU)
A: 113 - 206 (UniProt: P01848)

PDB	External Database	Details
Cys 160	Thr 49	engineered mutation

B: 2 - 97 (UniProt: A0A5A3)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 98	-	linker
Gly 99	-	linker
Tyr 100	-	linker
Glu 101	-	linker
Gln 102	-	linker
Tyr 103	-	linker
Phe 104	-	linker
Gly 105	-	linker
Pro 106	-	linker
Gly 107	-	linker
Thr 108	-	linker
Arg 109	-	linker
Leu 110	-	linker
Thr 111	-	linker
Val 112	-	linker
Thr 113	-	linker
Glu 114	-	linker

B: 115 - 243 (UniProt: A0A5B9)

PDB	External Database	Details
Val 128	Glu 14	engineered mutation
Cys 170	Ser 56	engineered mutation
Ala 188	Cys 74	engineered mutation
Asp 202	Asn 88	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	77384.9
Non-Polymers*	Number of molecules	3
	Total formula weight	111.4
All*	Total formula weight	77496.3

*Water molecules are not included.