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Holo form of a NADP dependent aldehyde dehydrogenase complex with NADP+

Analyse Holo form of a NADP dependent aldehyde dehydrogenase complex with NADP+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EUH
Type
protein
Length
1,896 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADP dependent non phosphorylating glyceraldehyde-3-phosphate dehydrogenase
EC
1.2.1.9
UniProt
Q59931
Ligands
NAP, SO4
Pockets
13 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DNADP dependent non phosphorylating glyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.9)protein47443% helix, 23% strandQ59931

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · 5 copies · chains B, C, D

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

Pockets

13 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18750.850.8782empty
211760.850.86116empty
38430.730.7896NAP
47940.730.7889SO4, NAP
58200.720.7781SO4, NAP

Interfaces

6 interfaces between chains.

  • C–D · 2506 Ų buried · 30 hydrogen bonds · protein-protein
  • A–B · 2498 Ų buried · 30 hydrogen bonds · protein-protein
  • B–C · 1143 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 1133 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 815 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 2EUH · Holo form of a NADP dependent aldehyde dehydrogenase complex with NADP+ · the same entry in another collection · chain D against D, TM-score 1.00
  • Q59931 · AlphaFold monomer V2.0 prediction for NADP-dependent glyceraldehyde-3-phosphate… · a predicted model of the same protein · chain A against A, TM-score 1.00

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