3TVM

Structure of the mouse CD1d-SMC124-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, E	Antigen-presenting glycoprotein CD1d1	polymer	285	32632.7	2	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	Mus musculus (mouse)	T cell surface glycoprotein CD1d
2	B, F	beta-2-microglobulin	polymer	99	11660.4	2	UniProt (P01887) Pfam (PF07654) In PDB	Mus musculus (mouse)
3	C, G	Valpha14 (mouse variable domain, human constant domain)	polymer	209	23055.6	2	Pfam (PF09291) UniProt (by SIFTS) (P01848) In PDB	Mus musculus Homo sapiens
4	D, H	Vbeta8.2 (mouse variable domain, human constant domain)	polymer	241	27027.0	2	Pfam (PF07654) UniProt (by SIFTS) (A0A5B9) In PDB	Mus musculus Homo sapiens
5	I, K	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
6	J, L	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
7	A, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	A, E	N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide	non-polymer		910.4	2	Chemie (07P)
9	D	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	E	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
11		water	water		18.0	60	Chemie (HOH)

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

B, F: 1 - 99 (UniProt: P01887)

PDB	External Database	Details
Ala 85	Asp 105	variant

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	188751.3
Branched	Number of molecules	4
	Total formula weight	1989.9
Non-Polymers*	Number of molecules	6
	Total formula weight	2390.8
All*	Total formula weight	193132.0

*Water molecules are not included.