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Cryo-EM structure of plasmodium vivax hexokinase (closed state)

Analyse Cryo-EM structure of plasmodium vivax hexokinase (closed state) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VYG
Type
protein
Length
1,732 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphotransferase
EC
2.7.1.-
UniProt
A0A1G4HFC9
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DPhosphotransferase (EC 2.7.1.-)protein43343% helix, 13% strandA0A1G4HFC9

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18960.840.8679empty
28500.840.8675empty
310950.790.81116empty
45240.770.8454empty
5670.710.9617empty

Interfaces

6 interfaces between chains.

  • A–C · 889 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 879 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 744 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 741 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 269 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6VYG · Cryo-EM structure of Plasmodium vivax hexokinase (Closed state) · the same entry in another collection · chain A against A, TM-score 1.00

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