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MolNFT v1 · #161943 · protein

Crystal structure of an arabidopsis WD40 domain in complex with an atypical bhlh transcription factor

6QTV · E3 ubiquitin-protein ligase COP1: “Crystal structure of an arabidopsis WD40 domain in complex with an atypical bhlh transcription factor”. X-ray diffraction, 2 pockets (best druggability 0.79). MolNFT v1 #161943 on GenesisL1: 3D…

PDB
6QTV
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin-protein ligase COP1; Transcription factor HFR1
EC
2.3.2.27
UniProt
P43254, Q9FE22
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AE3 ubiquitin-protein ligase COP1 (EC 2.3.2.27)protein3052% helix, 51% strandP43254
BTranscription factor HFR1protein80% helix, 13% strandQ9FE22

Ligands and binding sites

  • MLI · Malonate ion · additive · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13610.790.8952GOL
2500.340.7918empty

Interfaces

1 interface between chains.

  • A–B · 604 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 6QTV · Crystal structure of an Arabidopsis WD40 domain in complex with an atypical bHLH… · the same entry in another collection · chain A against A, TM-score 1.00
  • P43254 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase COP1 (P43254) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • Q9FE22 · AlphaFold monomer V2.0 prediction for transcription factor HFR1 (Q9FE22) · a predicted model of the same protein · chain B against A, TM-score 0.45

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