6D64

Crystal Structure of Human CD1b in Complex with POPC

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	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)
4	D	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		716.7	1	In PDB GlyTouCan (G63564LA)
5	E	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G32834DN)
6	A	(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate	non-polymer		760.1	1	Chemie (POV)
7	A	tetracosyl octadecanoate	non-polymer		621.1	1	Chemie (CUY)
8	A, B	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
9	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
10	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
11	A	IODIDE ION	non-polymer		126.9	2	Chemie (IOD)
12		water	water		18.0	538	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	3
	Total formula weight	2830.6
Non-Polymers*	Number of molecules	15
	Total formula weight	2092.4
All*	Total formula weight	50428.1

*Water molecules are not included.