4ROF

Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide

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 Itchy homolog	polymer	47	5412.0	2	UniProt (Q96J02) Pfam (PF00397)	Homo sapiens (human)	Itch, Atrophin-1-interacting protein 4, AIP4, NFE2-associated polypeptide 1, NAPP1
2	C, D (C, D)	Thioredoxin-interacting protein	polymer	14	1359.6	2	UniProt (Q9H3M7)	Homo sapiens	Thioredoxin-binding protein 2, Vitamin D3 up-regulated protein 1,TXNIP peptide
3	E, F, G (A, B, D)	water	water		18.0	10	Chemie (HOH)

Sequence modifications

A, B: 436 - 474 (UniProt: Q96J02)

PDB	External Database	Details
Gly 428	-	expression tag
Arg 429	-	expression tag
Arg 430	-	expression tag
Ala 431	-	expression tag
Ser 432	-	expression tag
Val 433	-	expression tag
Glu 434	-	expression tag
Leu 435	-	expression tag

C, D: 327 - 338 (UniProt: Q9H3M7)

PDB	External Database	Details
Ace 326	-	acetylation
Nh2 339	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	13543.1
All*	Total formula weight	13543.1

*Water molecules are not included.