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MolNFT v1 · #30163 · protein

Regulation of SMURF2 ubiquitin ligase activity by anchoring the E2 to the hect domain

1ZVD · Smad ubiquitination regulatory factor 2: “Regulation of SMURF2 ubiquitin ligase activity by anchoring the E2 to the hect domain”. X-ray diffraction, 2 ligands (NA, PO4), 4 pockets (best druggability 0.60). MolNFT v1 #30163 on…

PDB
1ZVD
Type
protein
Length
373 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Smad ubiquitination regulatory factor 2
EC
6.3.2.-
UniProt
Q9HAU4
Ligands
NA, PO4
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASmad ubiquitination regulatory factor 2 (EC 6.3.2.-)protein37348% helix, 15% strandQ9HAU4

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12740.600.7932empty
2670.590.9024empty
32310.540.7732empty
41270.440.7723empty

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

  • 1ZVD · Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HAU4 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase SMURF2 (Q9HAU4) · a predicted model of the same protein · chain A against A, TM-score 0.77

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