4EI5

Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	Antigen-presenting glycoprotein CD1d1	polymer	302	34662.0	2	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	Mus musculus (mouse)	CD1d
2	B, F	Beta-2-microglobulin	polymer	99	11660.4	2	UniProt (P01887) Pfam (PF07654) In PDB	Mus musculus (mouse)
3	C, G	Valpha1 XV19 Type II Natural Killer T cell receptor (mouse variable domain, human constant domain)	polymer	208	23209.5	2		Mus musculus Homo sapiens (mouse human)
4	D, H	Vbeta16 XV19 Type II Natural Killer T cell receptor (mouse variable domain, human constant domain)	polymer	245	28080.6	2		Mus musculus Homo sapiens (mouse human)
5	I	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		748.7	1	In PDB GlyTouCan (G81315DD)
6	J, L	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
7	K	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
8	A, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
9	A	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
10	A, E	(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE	non-polymer		890.3	2	Chemie (CIS)

Sequence modifications

A, E: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	SEE REMARK 999
Gly 280	-	expression tag
Ser 281	-	expression tag
Leu 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
Ile 285	-	expression tag
Leu 286	-	expression tag
Asp 287	-	expression tag
Ala 288	-	expression tag
Gln 289	-	expression tag
Lys 290	-	expression tag
Met 291	-	expression tag
Val 292	-	expression tag
Trp 293	-	expression tag
Asn 294	-	expression tag
His 295	-	expression tag
Arg 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag

B, F: 1 - 99 (UniProt: P01887)

PDB	External Database	Details
Ala 85	Asp 105	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	195225.0
Branched	Number of molecules	4
	Total formula weight	2184.0
Non-Polymers*	Number of molecules	5
	Total formula weight	2412.1
All*	Total formula weight	199821.1

*Water molecules are not included.