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MolNFT v1 · #6414 · protein

Structure of a cbl-UBCH7 complex: ring domain function in ubiquitin- protein ligases

1FBV · Signal transduction protein cbl: “Structure of a cbl-UBCH7 complex: ring domain function in ubiquitin- protein ligases”. X-ray diffraction, 2 ligands (ZN, SO4), 5 pockets (best druggability 0.73). MolNFT v1 #6414 on GenesisL1: 3D…

PDB
1FBV
Type
protein
Length
541 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Signal transduction protein cbl; Zap-70 peptide; Ubiquitin-conjugating enzyme E12-18 kda…
EC
6.3.2.19
UniProt
P22681, P68036
Ligands
ZN, SO4
Pockets
5 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASignal transduction protein cblprotein38850% helix, 8% strandP22681
BZap-70 peptideprotein90% helix, 0% strand—
CUbiquitin-conjugating enzyme E12-18 kda UBCH7 (EC 6.3.2.19)protein14424% helix, 15% strandP68036

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.730.9625empty
27080.690.7784SO4
31390.610.8527empty
4610.340.7818SO4
5770.290.7219empty

Interfaces

2 interfaces between chains.

  • A–C · 934 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 645 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 1FBV · Structure of a cbl-UBCH7 complex: ring domain function in ubiquitin-protein ligases · the same entry in another collection · chain A against A, TM-score 1.00
  • P68036 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 L3 (P68036) · a predicted model of the same protein · chain C against A, TM-score 0.92
  • P22681 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase cbl (P22681) · a predicted model of the same protein · chain A against A, TM-score 0.81

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