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Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle - holo enzyme - at 2.40 ångström resolution

Analyse Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DDI
Type
protein
Length
996 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glyceraldehyde-3-phosphate dehydrogenase
EC
1.2.1.12, 2.6.99.-
UniProt
P00355
Ligands
NAD, SO4
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
P, R, SGlyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.12, 2.6.99.-)protein33230% helix, 26% strandP00355

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 3 copies · chains P, R, S
  • SO4 · Sulfate ion · ion · 6 copies · chains P, R, S

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110270.760.79126SO4, NAD
24660.620.7644SO4, NAD
3540.480.8619empty
4750.400.7913empty
5700.350.7713empty

Interfaces

2 interfaces between chains.

  • P–R · 1395 Ų buried · 17 hydrogen bonds · protein-protein
  • P–S · 522 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5DDI · Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle - holo… · the same entry in another collection · chain P against P, TM-score 1.00
  • P00355 · AlphaFold monomer V2.0 prediction for glyceraldehyde-3-phosphate dehydrogenase (P00355) · a predicted model of the same protein · chain P against A, TM-score 0.98

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