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FT_5 dioxygenase apoenzyme

Analyse FT_5 dioxygenase apoenzyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D1O
Type
protein
Length
2,137 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase
EC
1.14.11.44
UniProt
Q8KSC8
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 8 distinct chains · 24% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26424% helix, 28% strandQ8KSC8
B(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26324% helix, 28% strandQ8KSC8
C(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26624% helix, 28% strandQ8KSC8
D(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26524% helix, 28% strandQ8KSC8
E(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26624% helix, 27% strandQ8KSC8
F(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein26224% helix, 28% strandQ8KSC8
G(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein27523% helix, 30% strandQ8KSC8
H(R)-PHENOXYPROPIONATE/ALPHA-ketoglutarate-dioxygenase (EC 1.14.11.44)protein27623% helix, 30% strandQ8KSC8

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110510.800.81105empty
25230.710.8050empty
36610.680.7661empty
44550.680.7942empty
56450.660.7554empty

Interfaces

15 interfaces between chains.

  • E–H · 1009 Ų buried · 15 hydrogen bonds · protein-protein
  • F–G · 943 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 891 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 873 Ų buried · 13 hydrogen bonds · protein-protein
  • D–H · 809 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6D1O · FT_5 dioxygenase apoenzyme · the same entry in another collection · chain H against H, TM-score 1.00
  • Q8KSC8 · AlphaFold monomer V2.0 prediction for (R)-PHENOXYPROPIONATE/ALPHA… · a predicted model of the same protein · chain F against A, TM-score 0.99

Analyse

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