10YS

Structure of Cbl-B bound to compound 33

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	E3 ubiquitin-protein ligase CBL-B	polymer	410	47772.6	2	UniProt (Q13191)	Homo sapiens (human)	Casitas B-lineage lymphoma proto-oncogene b,RING finger protein 56,RING-type E3 ubiquitin transferase CBL-B,SH3-binding protein CBL-B,Signal transduction protein CBL-B
2	C, P (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL) PubChem (753)
3	D, E, F, G, H... (A, B)	IODIDE ION	non-polymer		126.9	10	Chemie (IOD) PubChem (30165)
4	K, W (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	L, X (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
6	M, N, U, V (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN) PubChem (32051)
7	O, Y (A, B)	2-{3-[(1r,3r)-3-methoxy-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(1-methylcyclobutyl)amino]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one	non-polymer		539.6	2	Chemie (A1DCD)
8	Q (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS) PubChem (679)
9	AA, Z (B, A)	water	water		18.0	102	Chemie (HOH)

Sequence modifications

A, B: 34 - 427 (UniProt: Q13191)

PDB	External Database	Details
Met 18	-	initiating methionine
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
Gly 27	-	expression tag
Glu 28	-	expression tag
Asn 29	-	expression tag
Leu 30	-	expression tag
Tyr 31	-	expression tag
Phe 32	-	expression tag
Gln 33	-	expression tag
Ser 35	Pro 35	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95545.1
Non-Polymers*	Number of molecules	23
	Total formula weight	3044.9
All*	Total formula weight	98590.1

*Water molecules are not included.