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The structure of rat cytosolic pepck variant E89A complex with GTP

Analyse The structure of rat cytosolic pepck variant E89A complex with GTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5FH0
Type
protein
Length
619 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, MN, NA
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoenolpyruvate carboxykinase, cytosolic [GTP] (EC 4.1.1.32)protein61931% helix, 23% strandP07379

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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
18610.790.8281MN, GTP, EPE
21450.580.8320empty
3890.440.7917empty
4980.400.7623empty
5630.390.8023empty

Compared structures

  • 5FH0 · The structure of rat cytosolic PEPCK variant E89A complex with GTP · the same entry in another collection · chain A against A, TM-score 1.00
  • P07379 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase, cytosolic [GTP]… · a predicted model of the same protein · chain A against A, TM-score 0.99

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