7RYN

CD1a-sulfatide-gdTCR complex

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 surface glycoprotein CD1a	polymer	286	32593.6	1	UniProt (P06126) Pfam (PF16497) Pfam (PF07654)	Homo sapiens (Human)	T-cell surface antigen T6/Leu-6,hTa1 thymocyte antigen
2	B (B)	Beta-2-microglobulin	polymer	108	12602.1	1	UniProt (P61769) Pfam (PF07654)	Homo sapiens (Human)
3	C (C)	T cell receptor gamma variable 4,T cell receptor beta constant 1	polymer	248	27987.1	1	UniProt (A0A0C4DH28) UniProt (P01850) Pfam (PF07686) Pfam (PF07654)	Homo sapiens (Human)
4	D (D)	T cell receptor delta variable 1,T cell receptor alpha chain constant	polymer	209	23622.6	1	UniProt (A0A1B0GX56) UniProt (P01848) Pfam (PF07686) Pfam (PF09291)	Homo sapiens (Human)
5	E (A)	(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE	non-polymer		890.3	1	Chemie (CIS)
6	F, H, I, J, K... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
7	G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	L (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	M, O (A, C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
10	P, Q (A, B)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A: 1 - 278 (UniProt: P06126)

PDB	External Database	Details
Asp -1	-	expression tag
Ala 0	-	expression tag
Thr 2	Asp 19	conflict
Ile 13	Thr 30	variant
Trp 51	Cys 68	variant
Gly 279	-	expression tag
Ser 280	-	expression tag
Leu 281	-	expression tag
Val 282	-	expression tag
Pro 283	-	expression tag
Arg 284	-	expression tag

B: 2 - 100 (UniProt: P61769)

PDB	External Database	Details
Asp -1	-	expression tag
Ala 0	-	expression tag
Gly 1	-	expression tag
Gly 101	-	expression tag
Ser 102	-	expression tag
Leu 103	-	expression tag
Val 104	-	expression tag
Pro 105	-	expression tag
Arg 106	-	expression tag

C: 3 - 102 (UniProt: A0A0C4DH28)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag
Asp 103	-	linker
Tyr 104	-	linker
Tyr 105	-	linker
Lys 106	-	linker
Lys 107	-	linker
Leu 108	-	linker
Phe 109	-	linker
Gly 110	-	linker
Ser 111	-	linker
Gly 112	-	linker
Thr 113	-	linker
Thr 114	-	linker
Leu 115	-	linker
Val 116	-	linker
Val 117	-	linker
Thr 118	-	linker
Glu 119	-	linker

C: 120 - 248 (UniProt: P01850)

PDB	External Database	Details
Lys 122	Asn 3	conflict
Asn 123	Lys 4	conflict
Tyr 155	Phe 36	conflict
Cys 175	Ser 56	engineered mutation
Ala 193	Cys 74	engineered mutation

D: 2 - 96 (UniProt: A0A1B0GX56)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 97	-	linker
Arg 98	-	linker
Trp 99	-	linker
Pro 100	-	linker
Asp 101	-	linker
Lys 102	-	linker
Leu 103	-	linker
Ile 104	-	linker
Phe 105	-	linker
Gly 106	-	linker
Lys 107	-	linker
Gly 108	-	linker
Thr 109	-	linker
Arg 110	-	linker
Val 111	-	linker
Thr 112	-	linker
Val 113	-	linker
Glu 114	-	linker
Pro 115	-	linker
Asn 116	-	linker

D: 117 - 209 (UniProt: P01848)

PDB	External Database	Details
Cys 163	Thr 47	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96805.3
Non-Polymers*	Number of molecules	11
	Total formula weight	1782.2
All*	Total formula weight	98587.5

*Water molecules are not included.