3ARG

Ternary crystal structure of the mouse NKT TCR-CD1d-alpha-glucosylceramide(C20:2)

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	302	34662.0	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	NKT Valpha14-Jalpha18,NKT Valpha14-Jalpha18	polymer	207	22779.2	1	Pfam (PF09291) UniProt (by SIFTS) (P01848) In PDB	Mus musculus (mouse)
4	D	Vbeta8.2,Vbeta8.2	polymer	244	27166.9	1	Pfam (PF07654) UniProt (by SIFTS) (P01850) In PDB	Mus musculus (mouse)
5	E, F	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	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
7	A	(11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide	non-polymer		770.1	1	Chemie (DB6)
8		water	water		18.0	22	Chemie (HOH)

Sequence modifications

A: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	conflict
Gly 280	-	expression tag
Ser 281	-	expression tag
Leu 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
Ile 285	-	expression tag
Leu 286	-	expression tag
Asp 287	-	expression tag
Ala 288	-	expression tag
Gln 289	-	expression tag
Lys 290	-	expression tag
Met 291	-	expression tag
Val 292	-	expression tag
Trp 293	-	expression tag
Asn 294	-	expression tag
His 295	-	expression tag
Arg 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag

C: 1 - 116 (PDB: 3ARG)
C: 117 - 210 (PDB: 3ARG)
D: 1 - 117 (PDB: 3ARG)
D: 118 - 247 (PDB: 3ARG)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96268.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	2
	Total formula weight	991.3
All*	Total formula weight	98108.6

*Water molecules are not included.