1Z5L

Structure of a highly potent short-chain galactosyl ceramide agonist bound to CD1D

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	T-cell surface glycoprotein CD1d antigen	polymer	285	32632.7	2	GenBank (50333) Pfam (PF16497) Pfam (PF07654) UniProt (by SIFTS) (P11609)	Mus musculus (house mouse)
2	B, D (B, D)	Beta-2-microglobulin	polymer	99	11660.4	2	GenBank (55153801) Pfam (PF07654) UniProt (by SIFTS) (P01887)	Mus musculus (house mouse)
3	E, F (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)
4	G, H, K (A, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
5	I, L (A, C)	(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL	non-polymer		605.8	2	Chemie (PBS) PubChem (24936068)
6	J, M (A, C)	HEXADECANE	non-polymer		226.4	2	Chemie (R16) PubChem (11006)
7	N, O, P, Q (A, B, C, D)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

A, C: 1 - 279 (GenBank: 50333)

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	88586.0
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	7
	Total formula weight	2328.2
All*	Total formula weight	91763.0

*Water molecules are not included.