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Crystal structure of sulfolobus solfataricus 2-keto-3- deoxygluconate kinase

Analyse Crystal structure of sulfolobus solfataricus 2-keto-3- deoxygluconate kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2V78
Type
protein
Length
933 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fructokinase
EC
2.7.1.4
UniProt
Q97U29
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CFructokinase (EC 2.7.1.4)protein31143% helix, 24% strandQ97U29

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18240.750.7971empty
26750.720.7962empty
35170.700.8048empty
45180.690.7950empty
56320.640.7473empty

Interfaces

3 interfaces between chains.

  • A–B · 1134 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 662 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 259 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2V78 · Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97U29 · AlphaFold monomer V2.0 prediction for 2-dehydro-3-DEOXYGLUCONOKINASE/2-dehydro-3-deoxygala… · a predicted model of the same protein · chain A against A, TM-score 0.99

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