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Structure of wild type a. niger FDC1 that has been illuminated with UV light, with prfmn in the iminium and ketimine form

Analyse Structure of wild type a. niger FDC1 that has been illuminated with UV light… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EV3
Type
protein
Length
500 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferulic acid decarboxylase 1
EC
4.1.1.102
UniProt
A2QHE5
Ligands
4LU, FZZ, K, MN
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerulic acid decarboxylase 1 (EC 4.1.1.102)protein50031% helix, 23% strandA2QHE5

Ligands and binding sites

  • 4LU · 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol · ligand · chains A
  • FZZ · 1-deoxy-5-O-phosphono-1-[(10AR)-2,2,3,4-tetramethyl-8, 10-dioxo-1,2,8,9,10,10A-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol · ligand · chains A
  • K · Potassium ion · metal · 2 copies · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13570.860.95404LU, K, FZZ
22290.580.7942empty
3500.290.7515empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6EV3 · Structure of wild type A. niger Fdc1 that has been illuminated with UV light, with prFMN… · the same entry in another collection · chain A against A, TM-score 1.00
  • A2QHE5 · AlphaFold monomer V2.0 prediction for ferulic acid decarboxylase 1 (A2QHE5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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