4APQ

Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-sulfatide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1	polymer	302	34662.0	1	UniProt (P11609) Pfam (PF16497) Pfam (PF07654) In PDB	MUS MUSCULUS (HOUSE MOUSE)	CD1D.1, CD1D
2	B	BETA-2-MICROGLOBULIN	polymer	99	11660.4	1	UniProt (P01887) Pfam (PF07654) In PDB	MUS MUSCULUS (HOUSE MOUSE)
3	C	MOUSE NKT TCR VALPHA14, HUMAN NKT TCR VALPHA14	polymer	207	22779.2	1	Pfam (PF09291) UniProt (by SIFTS) (P01848) In PDB	MUS MUSCULUS (HOUSE MOUSE)
4	D	MOUSE NKT TCR AUTOREACTIVE-VBETA6, HUMAN NKT TCR AUTOREACTIVE-VBETA6	polymer	243	27366.6	1		MUS MUSCULUS (HOUSE MOUSE)
5	E	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
6	F	alpha-D-mannopyranose-(1-4)-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 (G08918EL)
7	G	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	(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	1	Chemie (CIS)
9		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	variant
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: 1 - 99 (UniProt: P01887)

PDB	External Database	Details
Ala 85	Asp 105	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96468.1
Branched	Number of molecules	3
	Total formula weight	1759.6
Non-Polymers*	Number of molecules	1
	Total formula weight	890.3
All*	Total formula weight	99118.0

*Water molecules are not included.