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FTV7 dioxygenase with 2,4-D bound

Analyse FTV7 dioxygenase with 2,4-D bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D3I
Type
protein
Length
1,141 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FTV7 dioxygenase
Ligands
AKG, CFA, CO
Pockets
17 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFTV7 dioxygenaseprotein28621% helix, 25% strand—
G, D, JFTV7 dioxygenaseprotein28522% helix, 28% strand—

Ligands and binding sites

  • AKG · 2-oxoglutaric acid · ligand · 4 copies · chains A, G, D, J
  • CFA · (2,4-dichlorophenoxy)acetic acid · ligand · 2 copies · chains G, D
  • CO · Cobalt (II) ion · metal · 4 copies · chains A, G, D, J

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

Pockets

17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.790.9146CO, AKG, CFA
23190.770.8848CO, AKG
32530.760.8937CO, AKG
42270.750.9042CO, AKG, CFA
53460.600.7740empty

Interfaces

5 interfaces between chains.

  • A–D · 1082 Ų buried · 9 hydrogen bonds · protein-protein
  • G–J · 1020 Ų buried · 11 hydrogen bonds · protein-protein
  • D–J · 284 Ų buried · 3 hydrogen bonds · protein-protein
  • A–G · 159 Ų buried · 6 hydrogen bonds · protein-protein
  • G–D · 17 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6D3I · ftv7 dioxygenase with 2,4-D bound · the same entry in another collection · chain A against A, TM-score 1.00

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