4MNG

Structure of the DP10.7 TCR with CD1d-sulfatide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (B, D)	Beta-2-microglobulin	polymer	99	11660.4	2	UniProt (P01887) Pfam (PF07654)	Mus musculus (Mouse)
2	B, D (A, C)	Cd1d1 protein	polymer	281	31972.8	2	UniProt (P15813) UniProt (Q7TMK5) Pfam (PF16497) Pfam (PF07654) UniProt (by SIFTS) (P11609)	Mus musculus
3	E, F (E, F)	TRA@ protein,TRA@ protein, Ti antigen CD3-associated protein gamma chain V-J-C region	polymer	262	28534.9	2	UniProt (Q6PJ56) Pfam (PF07686)	Homo sapiens (Human)
4	G, H, I, K, L... (A, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	J, N (A, C)	(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	2	Chemie (CIS)
6	O, P, Q, R (A, C, E, F)	water	water		18.0	18	Chemie (HOH)

Sequence modifications

A, C: 3 - 183 (UniProt: P15813)

PDB	External Database	Details
Ala 0	-	expression tag
Asp 1	-	expression tag
Pro 2	-	expression tag

A, C: 184 - 277 (UniProt: Q7TMK5)

PDB	External Database	Details
Ser 278	-	expression tag
Gly 279	-	expression tag
Arg 280	-	expression tag

E, F: 1 - 119 (UniProt: Q6PJ56)

PDB	External Database	Details
-	Ser 116	deletion
-	Phe 117	deletion
-	Leu 118	deletion
Ser 97	Phe 120	conflict
Tyr 98	Arg 121	conflict
Trp 99	Gly 122	conflict
Gly 100	Asn 123	conflict
Pro 102	His 125	conflict
Arg 103	Tyr 126	conflict
Thr 105	Asp 128	conflict
Arg 106	Lys 129	conflict
Val 107	Leu 130	conflict

E, F: 120 - 262 (PDB: 4MNG)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	144336.1
Non-Polymers*	Number of molecules	8
	Total formula weight	3107.9
All*	Total formula weight	147444.0

*Water molecules are not included.