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Structure of the H477R variant of rat cytosolic pepck in complex with oxalate and GTP.

Analyse Structure of the H477R variant of rat cytosolic pepck in complex with oxalate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5V9G
Type
protein
Length
620 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
EC
4.1.1.32
UniProt
P07379
Ligands
GTP, OXL, MN, NA
Pockets
9 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoenolpyruvate carboxykinase, cytosolic [GTP] (EC 4.1.1.32)protein62030% helix, 23% strandP07379

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • OXL · Oxalate ion · ligand · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13450.700.8353MN, GTP, OXL
21480.580.8220empty
31020.540.8423empty
4810.440.8016empty
5550.380.8014empty

Compared structures

  • 5V9G · Structure of the H477R variant of rat cytosolic PEPCK in complex with oxalate and GTP. · the same entry in another collection · chain A against A, TM-score 1.00

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