5WKI

Crystal structure of PG90 TCR-CD1b-PG complex

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	99	11748.2	1	UniProt (P61769) Pfam (PF07654) In PDB	Homo sapiens (Human)
3	D	T-cell receptor alpha variable 26-1,TRA@ protein	polymer	204	22839.4	1	UniProt (A0A087WT03) UniProt (Q6P4G7) Pfam (PF07686) Pfam (PF09291) In PDB	Homo sapiens (Human)
4	E	PG90 TCR beta chain	polymer	249	27791.8	1		Homo sapiens (human)
5	C	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)
6	A	tetracosyl octadecanoate	non-polymer		621.1	1	Chemie (CUY)
7	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	A, B, D	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
9	D, E	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
10	D	(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate	non-polymer		749.0	1	Chemie (D3D)
11	E	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
12	E	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
13		water	water		18.0	187	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

D: 1 - 90 (UniProt: A0A087WT03)

PDB	External Database	Details
Pro 8	Thr 25	conflict
Arg 91	-	linker
Val 92	-	linker
Ala 93	-	linker
Tyr 94	-	linker
Arg 95	-	linker
Gln 96	-	linker
Lys 97	-	linker
Val 98	-	linker
Thr 99	-	linker
Phe 100	-	linker
Gly 101	-	linker
Thr 102	-	linker
Gly 103	-	linker
Thr 104	-	linker
Lys 105	-	linker
Leu 106	-	linker
Gln 107	-	linker
Val 108	-	linker
Ile 109	-	linker
Pro 110	-	linker

D: 111 - 204 (UniProt: Q6P4G7)

PDB	External Database	Details
Cys 158	Thr 167	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	95910.0
Branched	Number of molecules	1
	Total formula weight	716.7
Non-Polymers*	Number of molecules	20
	Total formula weight	2535.7
All*	Total formula weight	99162.4

*Water molecules are not included.