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) PubChem (6426731) PubChem (16225695) PubChem (24779587) PubChem (45257223) PubChem (49866794) PubChem (74084229) PubChem (89318118) PubChem (90262419) PubChem (5459361) PubChem (143433200) PubChem (134444216) PubChem (136212761) PubChem (154554794) PubChem (172897736) PubChem (162801214) PubChem (164176077) PubChem (168006572) PubChem (171149140) PubChem (172946536) PubChem (172946550)
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) PubChem (8117)
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.