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

Analyse Crystal structure of an arabidopsis WD40 domain in complex with an atypical… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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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