3TA3

Structure of the mouse CD1d-Glc-DAG-s2-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 chimera (mouse variable domain, human constant domain)	polymer	209	23055.6	1		Mus musculus Homo sapiens
4	D	Vbeta8.2 chimera (mouse variable domain, human constant domain)	polymer	241	27027.0	1	Pfam (PF07654) UniProt (by SIFTS) (A0A5B9) In PDB	Mus musculus Homo sapiens
5	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	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)
7	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	A	(2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate	non-polymer		757.1	1	Chemie (3TF)
9		water	water		18.0	144	Chemie (HOH)

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

B: 1 - 99 (UniProt: P01887)

PDB	External Database	Details
Ala 85	Asp 105	variant

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	978.3
All*	Total formula weight	96348.9

*Water molecules are not included.