4Y2D

Crystal structure of the mCD1d/7DW8-5/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, E	Antigen-presenting glycoprotein CD1d1	polymer	285	32632.7	2	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	Mus musculus (Mouse)
2	B, F	Beta-2-microglobulin	polymer	99	11660.4	2	UniProt (P01887) Pfam (PF07654) In PDB	Mus musculus (Mouse)
3	C, G	Chimeric TCR Valpha14/Jalpha18 chain (mouse variable domain, human constant domain)	polymer	209	23055.6	2	Pfam (PF07686) Pfam (PF09291) UniProt (by SIFTS) (A0A0B4J1J9) UniProt (by SIFTS) (P01848) In PDB	Mus musculus Homo sapiens (Mouse Human)	Protein Trav11d,Human nkt tcr beta chain
4	D, H	Chimeric TCR Vbeta8.2 chain (mouse variable domain, human constant domain)	polymer	241	27027.0	2	Pfam (PF07686) Pfam (PF07654) UniProt (by SIFTS) (A2NTY6) UniProt (by SIFTS) (A0A5B9) In PDB	Mus musculus Homo sapiens (Mouse Human)	Beta-chain,T-cell receptor beta-2 chain C region
5	I	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
6	A, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
7	A, E	11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide	non-polymer		742.0	2	Chemie (7DW)
8	E	alpha-L-fucopyranose	non-polymer		164.2	1	Chemie (FUC)

Sequence modifications

A, E: 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	8
	Total formula weight	188751.3
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	8
	Total formula weight	2754.2
All*	Total formula weight	191929.9

*Water molecules are not included.