8GLF

Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2

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 CD1b	polymer	300	33530.7	1	UniProt (P29016) Pfam (PF16497) Pfam (PF07654) In PDB	Homo sapiens (human)
2	B	Beta-2-microglobulin	polymer	101	11974.5	1	UniProt (P61769) Pfam (PF07654) In PDB	Homo sapiens (human)
3	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	C	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-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1203.1	1	In PDB GlyTouCan (G11460AB)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	A	[(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate	non-polymer		704.0	1	Chemie (3LY)
7	A	TETRACOSYL PALMITATE	non-polymer		593.1	1	Chemie (6UL)
8	A	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	A, B	IODIDE ION	non-polymer		126.9	2	Chemie (IOD)
10	B	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
11		water	water		18.0	234	Chemie (HOH)

Sequence modifications

A: 2 - 278 (UniProt: P29016)

PDB	External Database	Details
Gly 279	-	expression tag
Ser 280	-	expression tag
Gly 281	-	expression tag
Leu 282	-	expression tag
Asn 283	-	expression tag
Asp 284	-	expression tag
Ile 285	-	expression tag
Phe 286	-	expression tag
Glu 287	-	expression tag
Ala 288	-	expression tag
Gln 289	-	expression tag
Lys 290	-	expression tag
Ile 291	-	expression tag
Glu 292	-	expression tag
Trp 293	-	expression tag
His 294	-	expression tag
Glu 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag

B: 3 - 101 (UniProt: P61769)

PDB	External Database	Details
Pro 1	-	expression tag
Lys 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45505.1
Branched	Number of molecules	2
	Total formula weight	1627.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1875.5
All*	Total formula weight	49008.2

*Water molecules are not included.