3TUG

Crystal structure of the HECT domain of ITCH E3 ubiquitin ligase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	E3 ubiquitin-protein ligase Itchy homolog	polymer	398	47490.1	1	UniProt (Q96J02) Pfam (PF00632)	Homo sapiens (human)	Itch, Atrophin-1-interacting protein 4, AIP4, NFE2-associated polypeptide 1, NAPP1
2	B (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	C, D, E, F, G... (A)	UNKNOWN ATOM OR ION	non-polymer			9	Chemie (UNX)
4	L (A)	water	water		18.0	78	Chemie (HOH)

Sequence modifications

A: 524 - 903 (UniProt: Q96J02)

PDB	External Database	Details
Met 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
Ser 513	-	expression tag
Ser 514	-	expression tag
Gly 515	-	expression tag
Arg 516	-	expression tag
Glu 517	-	expression tag
Asn 518	-	expression tag
Leu 519	-	expression tag
Tyr 520	-	expression tag
Phe 521	-	expression tag
Gln 522	-	expression tag
Gly 523	-	expression tag
Ser 605	Leu 605	engineered mutation
Arg 801	His 801	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47490.1
Non-Polymers*	Number of molecules	10
	Total formula weight	35.5
All*	Total formula weight	47525.6

*Water molecules are not included.