9QWK

Crystal structure of S2c-a5b6 TCR in complex with CD1c

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, F, H, J... (A, B, G, J, L...)	Beta-2-microglobulin,T-cell surface glycoprotein CD1c	polymer	442	49744.5	8	UniProt (P61769) UniProt (P29017) Pfam (PF07654) Pfam (PF16497)	Homo sapiens (human)
2	C, G, K, O (D, H, M, R)	TCR alpha	polymer	200	22099.5	4		Homo sapiens
3	D, E, I, M (E, F, K, P)	TCR beta	polymer	246	28118.3	4		Homo sapiens
4	Q, S (C, N)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	2	In PDB GlyTouCan (G86851RC)
5	R (I)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		383.3	1	In PDB GlyTouCan (G90333CG)
6	T (S)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
7	U, V (U, V)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
8	AA, DA, EA, IA, JA... (G, L, Q, A)	DECANE	non-polymer		142.3	8	Chemie (D10)
9	BA, FA, KA, Y (H, M, R, D)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
10	CA, HA (L, Q)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
11	GA (O)	alpha-L-fucopyranose	non-polymer		164.2	1	Chemie (FUC)
12	LA, MA, NA, OA, PA... (A, D, E, F, G...)	water	water		18.0	82	Chemie (HOH)

Sequence modifications

A, B, G, J, L, O, Q, T: -108 - -11 (UniProt: P61769)

PDB	External Database	Details
Met -128	-	initiating methionine
Tyr -127	-	expression tag
Arg -126	-	expression tag
Met -125	-	expression tag
Gln -124	-	expression tag
Leu -123	-	expression tag
Leu -122	-	expression tag
Ser -121	-	expression tag
Cys -120	-	expression tag
Ile -119	-	expression tag
Ala -118	-	expression tag
Leu -117	-	expression tag
Ser -116	-	expression tag
Leu -115	-	expression tag
Ala -114	-	expression tag
Leu -113	-	expression tag
Val -112	-	expression tag
Thr -111	-	expression tag
Asn -110	-	expression tag
Ser -109	-	expression tag
Ile -10	-	linker
Gly -9	-	linker
Gly -8	-	linker
Gly -7	-	linker
Gly -6	-	linker
Ser -5	-	linker
Gly -4	-	linker
Gly -3	-	linker
Gly -2	-	linker
Gly -1	-	linker
Ser 0	-	linker
Gly 1	-	linker
Gly 2	-	linker
Gly 3	-	linker
Gly 4	-	linker
Ser 5	-	linker

A, B, G, J, L, O, Q, T: 6 - 279 (UniProt: P29017)

PDB	External Database	Details
Ser 280	-	expression tag
Leu 281	-	expression tag
Ser 282	-	expression tag
Thr 283	-	expression tag
Pro 284	-	expression tag
Pro 285	-	expression tag
Thr 286	-	expression tag
Pro 287	-	expression tag
Ser 288	-	expression tag
Thr 289	-	expression tag
Pro 290	-	expression tag
Pro 291	-	expression tag
Thr 292	-	expression tag
Gly 293	-	expression tag
Leu 294	-	expression tag
Asn 295	-	expression tag
Asp 296	-	expression tag
Ile 297	-	expression tag
Phe 298	-	expression tag
Glu 299	-	expression tag
Ala 300	-	expression tag
Gln 301	-	expression tag
Lys 302	-	expression tag
Ile 303	-	expression tag
Glu 304	-	expression tag
Trp 305	-	expression tag
His 306	-	expression tag
Glu 307	-	expression tag
His 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	598827.3
Branched	Number of molecules	6
	Total formula weight	2991.8
Non-Polymers*	Number of molecules	15
	Total formula weight	1993.1
All*	Total formula weight	603812.2

*Water molecules are not included.