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The crystal structure of dialkylglycine decarboxylase complex with pyridoxamine 5-phosphate

Analyse The crystal structure of dialkylglycine decarboxylase complex with pyridoxamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ZC9
Type
protein
Length
431 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2,2-dialkylglycine decarboxylase
EC
4.1.1.64
UniProt
P16932
Ligands
PMP, K, NA
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2,2-dialkylglycine decarboxylase (EC 4.1.1.64)protein43140% helix, 19% strandP16932

Ligands and binding sites

  • PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · chains A
  • K · Potassium ion · metal · chains A
  • NA · Sodium 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
12060.530.7837PMP
22040.510.7625empty
31870.450.7427empty
4640.360.7815empty

Compared structures

  • 1ZC9 · The crystal structure of dialkylglycine decarboxylase complex with pyridoxamine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P16932 · AlphaFold monomer V2.0 prediction for 2,2-dialkylglycine decarboxylase (P16932) · a predicted model of the same protein · chain A against A, TM-score 1.00

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