4Y4K

Crystal structure of the mCD1d/EF77/iNKTCR ternary 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)	Antigen-presenting glycoprotein CD1d1	polymer	285	32632.7	1	UniProt (P11609) Pfam (PF16497) Pfam (PF07654)	Mus musculus (Mouse)
2	B (B)	Beta-2-microglobulin	polymer	99	11660.4	1	UniProt (P01887) Pfam (PF07654)	Mus musculus (Mouse)
3	C (C)	chimeric TCR Valpha14Jalpha18 chain (mouse variable, human constant domain)	polymer	209	23055.6	1	Pfam (PF07686) Pfam (PF09291) UniProt (by SIFTS) (A0A0B4J1J9) UniProt (by SIFTS) (P01848)	Mus musculus Homo sapiens (Mouse Human)	Protein Trav11d,Human nkt tcr beta chain
4	D (D)	chimeric TCR Vbeta8.2 chain (mouse variable, human constant domain)	polymer	241	27027.0	1	Pfam (PF07686) Pfam (PF07654) UniProt (by SIFTS) (A2NTY6) UniProt (by SIFTS) (A0A5B9)	Mus musculus Homo sapiens (Mouse Human)	Beta-chain,T-cell receptor beta-2 chain C region
5	E (E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
6	F, G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	H (A)	(4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide	non-polymer		798.2	1	Chemie (49Y)

Sequence modifications

A: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	variant
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	94375.6
Branched	Number of molecules	1
	Total formula weight	570.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1240.6
All*	Total formula weight	96186.8

*Water molecules are not included.