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2-keto-3-deoxygluconate kinase from thermus thermophilus

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

PDB
1V19
Type
protein
Length
602 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-keto-3-deoxygluconate kinase
Pockets
6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B2-keto-3-deoxygluconate kinaseprotein30139% helix, 24% strand—

Ligands and binding sites

  • DIO · 1,4-diethylene dioxide · additive · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15660.700.7958empty
25920.690.7861empty
31840.450.7431DIO
4810.370.7713empty
5860.360.7512empty

Interfaces

1 interface between chains.

  • A–B · 1184 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 1V19 · 2-keto-3-deoxygluconate kinase from thermus thermophilus · the same entry in another collection · chain A against A, TM-score 1.00

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