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Crystal structure of arabidopsis thaliana chalcone-isomerase like protein AT5G05270 (atchil)

Analyse Crystal structure of arabidopsis thaliana chalcone-isomerase like protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4DOK
Type
protein
Length
416 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Similarity to chalcone-flavonone isomerase
UniProt
Q9FLC7
Ligands
CA
Pockets
5 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSimilarity to chalcone-flavonone isomeraseprotein20840% helix, 30% strandQ9FLC7

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, B
  • ACT · Acetate ion · additive · chains B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12660.480.7333empty
2720.480.8318empty
3840.380.7723empty
4700.370.7818empty
5540.270.7315empty

Interfaces

1 interface between chains.

  • A–B · 438 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4DOK · Crystal structure of Arabidopsis thaliana chalcone-isomerase like protein At5g05270… · the same entry in another collection · chain A against A, TM-score 1.00

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