8SGB

Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Antigen-presenting glycoprotein CD1d	polymer	347	39471.6	1	UniProt (P15813) Pfam (PF16497) Pfam (PF07654)	Homo sapiens (human)	R3G1
2	B (B)	Beta-2-microglobulin	polymer	100	11879.4	1	UniProt (P61769) Pfam (PF07654)	Homo sapiens (human)
3	C (C)	Natural Killer T cell receptor TRAV26A-2 alpha chain	polymer	207	23183.7	1		Homo sapiens
4	D (D)	Natural Killer T cell receptor TRBV19 beta chain	polymer	243	27676.7	1		Homo sapiens
5	E (E)	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)
6	F, G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	H (A)	sphingomyelin	non-polymer		814.2	1	Chemie (FO4)
8	I (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	J, K, L, M (A, B, C, D)	water	water		18.0	19	Chemie (HOH)

Sequence modifications

A: 5 - 278 (UniProt: P15813)

PDB	External Database	Details
Met 4	-	initiating methionine
Ser 279	-	expression tag
Leu 280	-	expression tag
Val 281	-	expression tag
Pro 282	-	expression tag
Arg 283	-	expression tag
Gly 284	-	expression tag
Ser 285	-	expression tag
Gly 286	-	expression tag
Ser 287	-	expression tag
Arg 288	-	expression tag
Ile 289	-	expression tag
Ala 290	-	expression tag
Arg 291	-	expression tag
Leu 292	-	expression tag
Glu 293	-	expression tag
Glu 294	-	expression tag
Lys 295	-	expression tag
Val 296	-	expression tag
Lys 297	-	expression tag
Thr 298	-	expression tag
Leu 299	-	expression tag
Lys 300	-	expression tag
Ala 301	-	expression tag
Gln 302	-	expression tag
Asn 303	-	expression tag
Ser 304	-	expression tag
Glu 305	-	expression tag
Leu 306	-	expression tag
Ala 307	-	expression tag
Ser 308	-	expression tag
Thr 309	-	expression tag
Ala 310	-	expression tag
Asn 311	-	expression tag
Met 312	-	expression tag
Leu 313	-	expression tag
Arg 314	-	expression tag
Glu 315	-	expression tag
Gln 316	-	expression tag
Val 317	-	expression tag
Ala 318	-	expression tag
Gln 319	-	expression tag
Leu 320	-	expression tag
Lys 321	-	expression tag
Gln 322	-	expression tag
Lys 323	-	expression tag
Val 324	-	expression tag
Met 325	-	expression tag
Asn 326	-	expression tag
His 327	-	expression tag
Gly 328	-	expression tag
Ser 329	-	expression tag
Gly 330	-	expression tag
Leu 331	-	expression tag
Asn 332	-	expression tag
Asp 333	-	expression tag
Ile 334	-	expression tag
Phe 335	-	expression tag
Glu 336	-	expression tag
Ala 337	-	expression tag
Gln 338	-	expression tag
Lys 339	-	expression tag
Ile 340	-	expression tag
Glu 341	-	expression tag
Trp 342	-	expression tag
His 343	-	expression tag
Glu 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag
His 347	-	expression tag
His 348	-	expression tag
His 349	-	expression tag
His 350	-	expression tag

B: 1 - 99 (UniProt: P61769)

PDB	External Database	Details
Met 0	-	initiating methionine

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	102211.4
Branched	Number of molecules	1
	Total formula weight	586.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1279.6
All*	Total formula weight	104077.5

*Water molecules are not included.