4IRS

Structure of the mouse CD1d-PyrC-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 (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)	Valpha14 (mouse variable domain, human constant domain)	polymer	209	23055.6	1	Pfam (PF09291) UniProt (by SIFTS) (P01848)	Mus musculus Homo sapiens (mouse human)
4	D (D)	Vbeta8.2 (mouse variable domain, human constant domain)	polymer	241	27027.0	1		Mus musculus Homo sapiens (mouse human)
5	E (E)	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	F (F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G28454KX)
7	G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	H (A)	N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(pyridin-4-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide	non-polymer		978.4	1	Chemie (1LA)
9	I, J, K, L (A, B, C, D)	water	water		18.0	112	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	2
	Total formula weight	994.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1199.6
All*	Total formula weight	96570.2

*Water molecules are not included.