› 4rof

X-ray diffraction
2.03Å resolution

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

Released:
DOI: 10.2210/pdb4rof/pdb
PDB entry 4rof coloured by chain, front view.
PDB entry 4rof coloured by chain, side view.
PDB entry 4rof coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Liu Y, Tempel W, Bountra C, Arrowsmith CH, Edwards AM, Min J, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
(1a) S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [HECT-type E3 ubiquitin transferase]-L-cysteine = [E2 ubiquitin-conjugating enzyme]-L-cysteine + S-ubiquitinyl-[HECT-type E3 ubiquitin transferase]-L-cysteine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188556 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
E3 ubiquitin-protein ligase Itchy homolog Chains: A, B
Molecule details ›
Chains: A, B
Length: 47 amino acids
Theoretical weight: 5.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q96J02 (Residues: 436-474; Coverage: 4%)
Gene name: ITCH
Sequence domains: WW domain
Thioredoxin-interacting protein Chains: C, D
Molecule details ›
Chains: C, D
Length: 14 amino acids
Theoretical weight: 1.36 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9H3M7 (Residues: 327-338; Coverage: 3%)
Gene names: TXNIP, VDUP1

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P212121
Unit cell:
a: 30.171Å b: 55.312Å c: 59.796Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.246 0.239 0.298
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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