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Structure of wild type a. niger FDC1 purified in the dark with prfmn in the iminium form

Analyse Structure of wild type a. niger FDC1 purified in the dark with prfmn in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EV4
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, K, MN
Pockets
4 · best druggability 0.85

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
  • 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13360.850.95404LU, K
22320.570.7943empty
3570.320.7613empty
4540.250.7218empty

Compared structures

  • 6EV4 · Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form · 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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