3GMO

Structure of mouse CD1d in complex with C8PhF

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	T-cell surface glycoprotein CD1d1	polymer	287	32776.8	1	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	Mus musculus (mouse)
2	B	Beta-2 microglobulin	polymer	99	11660.4	1	UniProt (Q91XJ8) Pfam (PF07654) UniProt (by SIFTS) (P01887) In PDB	Mus musculus (mouse)
3	C	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G42227JK)
4	D	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1057.0	1	In PDB GlyTouCan (G82348BZ)
5	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
6	A	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide	non-polymer		699.9	1	Chemie (C8F)
7	A	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)
8	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
9		water	water		18.0	348	Chemie (HOH)

Sequence modifications

A: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	SEE REMARK 999
Gly 280	-	expression tag
Ser 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	44437.1
Branched	Number of molecules	2
	Total formula weight	1967.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1425.8
All*	Total formula weight	47830.8

*Water molecules are not included.