6CXE

Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	C	Chimeric T cell antigen receptor alpha chain Va14,Va24,Ja18	polymer	209	23055.6	1		Mus musculus (Mouse)
2	D	Chimeric T cell antigen receptor beta chain Vb8.2, vb11	polymer	241	27027.0	1		Mus musculus (Mouse)
3	A	Antigen-presenting glycoprotein CD1d1	polymer	285	32632.7	1	UniProt (A0A0R4J090) Pfam (PF16497) Pfam (PF07654) UniProt (by SIFTS) (P11609) In PDB	Mus musculus (Mouse)	MCG3074,isoform CRA_a
4	B	Beta-2-microglobulin	polymer	99	11660.4	1	UniProt (P01887) Pfam (PF07654) In PDB	Mus musculus (Mouse)
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	C, D, A	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
7	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	A	N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide	non-polymer		907.3	1	Chemie (EM4)
9		water	water		18.0	279	Chemie (HOH)

Sequence modifications

A: 1 - 279 (UniProt: A0A0R4J090)

PDB	External Database	Details
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	7
	Total formula weight	1441.7
All*	Total formula weight	96387.9

*Water molecules are not included.