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Crystal structure of trypanosoma brucei gambiense glycerol kinase phosphorylated at THR12(PYROPHOSPHATASE reaction)

Analyse Crystal structure of trypanosoma brucei gambiense glycerol kinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6J9X
Type
protein
Length
2,052 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycerol kinase
EC
2.7.1.30
UniProt
D3KVM3
Pockets
15 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DGlycerol kinase (EC 2.7.1.30)protein51334% helix, 22% strandD3KVM3

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A, B, C, D

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

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110300.750.7890GOL
28270.740.7979GOL
37920.740.7966GOL
47940.730.7862GOL
53520.600.7740empty

Interfaces

3 interfaces between chains.

  • A–B · 1394 Ų buried · 26 hydrogen bonds · protein-protein
  • C–D · 1385 Ų buried · 29 hydrogen bonds · protein-protein
  • B–D · 454 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 6J9X · Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at… · the same entry in another collection · chain A against A, TM-score 1.00

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