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The 1.18 a resolution structure of L-serine 3-dehydrogenase complexed with NADP+ and sulfate ion from the hyperthermophilic archaeon pyrobaculum calidifontis

Analyse The 1.18 a resolution structure of L-serine 3-dehydrogenase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WS7
Type
protein
Length
293 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
6-phosphogluconate dehydrogenase, NAD-binding protein
EC
1.1.1.276
UniProt
A3MU08
Ligands
NAP, SO4
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A6-phosphogluconate dehydrogenase, NAD-binding protein (EC 1.1.1.276)protein29354% helix, 14% strandA3MU08

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • ACY · Acetic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13870.720.8354NAP, SO4
2740.370.7719empty
3720.310.7317empty

Compared structures

  • 3WS7 · The 1.18 A resolution structure of L-serine 3-dehydrogenase complexed with NADP+ and… · the same entry in another collection · chain A against A, TM-score 1.00

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