4IRJ

Structure of the mouse CD1d-4ClPhC-alpha-GalCer-iNKT TCR complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Antigen-presenting glycoprotein CD1d1	polymer	285	32632.7	1	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	Mus musculus (mouse)
2	B	Beta-2-microglobulin	polymer	99	11660.4	1	UniProt (P01887) Pfam (PF07654) In PDB	Mus musculus (mouse)
3	C	Valpha14 (mouse variable domain, human constant domain)	polymer	209	23055.6	1		Mus musculus Homo sapiens (mouse human)
4	D	Vbeta8.2 (mouse variable domain, human constant domain)	polymer	241	27027.0	1		Mus musculus Homo sapiens (mouse human)
5	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	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	A	N-[(2S,3S,4R)-1-({6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide	non-polymer		1011.9	1	Chemie (1L9)
8		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	conflict
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	1454.3
All*	Total formula weight	96400.5

*Water molecules are not included.