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Crystal structure of alkb in complex with FE(II) and succinate

Analyse Crystal structure of alkb in complex with FE(II) and succinate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2FDJ
Type
protein
Length
207 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alkylated DNA repair protein alkb
UniProt
P05050
Ligands
FE2
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlkylated DNA repair protein alkbprotein20716% helix, 34% strandP05050

Ligands and binding sites

  • FE2 · Fe (II) ion · metal · chains A
  • SIN · Succinic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.680.8442FE2, SIN
2550.300.7616empty

Compared structures

  • 2FDJ · Crystal Structure of AlkB in complex with Fe(II) and succinate · the same entry in another collection · chain A against A, TM-score 1.00
  • P05050 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent dioxygenase alkb… · a predicted model of the same protein · chain A against A, TM-score 0.96

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