3HUJ

Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	T-cell surface glycoprotein CD1d	polymer	284	32324.4	2	UniProt (P15813) Pfam (PF16497) Pfam (PF07654) In PDB	Homo sapiens (human)	R3G1
2	B, D	Beta-2-microglobulin	polymer	99	11748.2	2	UniProt (P61769) Pfam (PF07654) In PDB	Homo sapiens (human)	Beta-2-microglobulin form pI 5.3
3	E, G	NKT15 T cell receptor alpha-chain	polymer	209	23227.7	2		Homo sapiens (human)
4	F, H	NKT15 T cell receptor beta-chain	polymer	246	28033.2	2		Homo sapiens (human)
5	I	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		383.3	1	In PDB GlyTouCan (G90333CG)
6	J	beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G31883CF)
7	A, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	A, C	N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE	non-polymer		858.3	2	Chemie (AGH)
9	H	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
10		water	water		18.0	482	Chemie (HOH)

Sequence modifications

A, C: 3 - 277 (UniProt: P15813)

PDB	External Database	Details
Ser 0	-	expression tag
Pro 1	-	expression tag
Gly 2	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	190666.8
Branched	Number of molecules	2
	Total formula weight	969.9
Non-Polymers*	Number of molecules	5
	Total formula weight	2183.4
All*	Total formula weight	193820.0

*Water molecules are not included.