5C7M

CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	E3 ubiquitin-protein ligase Itchy homolog	polymer	394	47028.7	1	UniProt (Q96J02) Pfam (PF00632) In PDB	Homo sapiens (Human)	Itch,Atrophin-1-interacting protein 4,AIP4,NFE2-associated polypeptide 1,NAPP1
2	B, C	Polyubiquitin-C	polymer	84	9768.2	2	UniProt (P0CG48) Pfam (PF00240) In PDB	Homo sapiens (Human)
3		water	water		18.0	3	Chemie (HOH)

Sequence modifications

A: 524 - 899 (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	conflict
Arg 801	His 801	conflict

B, C: 1 - 75 (UniProt: P0CG48)

PDB	External Database	Details
His 2	Gln 2	engineered mutation
Leu 4	Phe 4	engineered mutation
Arg 9	Thr 9	engineered mutation
Leu 44	Ile 44	engineered mutation
Gly 46	Ala 46	engineered mutation
Asn 48	Lys 48	engineered mutation
Lys 49	Gln 49	engineered mutation
Asn 66	Thr 66	engineered mutation
Tyr 68	His 68	engineered mutation
Leu 70	Val 70	engineered mutation
Arg 73	Leu 73	engineered mutation
Leu 74	Arg 74	engineered mutation
Ser 76	-	expression tag
Lys 77	-	expression tag
Phe 78	-	expression tag
His 79	-	expression tag
His 80	-	expression tag
His 81	-	expression tag
His 82	-	expression tag
His 83	-	expression tag
His 84	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	66565.0
All*	Total formula weight	66565.0

*Water molecules are not included.