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Structure of the type III coaa from pseudomonas aeruginosa

Analyse Structure of the type III coaa from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2F9T
Type
protein
Length
489 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pantothenate kinase
EC
2.7.1.33
UniProt
Q9HWC1
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APantothenate kinase (EC 2.7.1.33)protein24139% helix, 27% strandQ9HWC1
BPantothenate kinase (EC 2.7.1.33)protein24838% helix, 27% strandQ9HWC1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13280.750.8745empty
24380.660.7946empty
31090.350.7418empty

Interfaces

1 interface between chains.

  • A–B · 2014 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 2F9T · Structure of the type III CoaA from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HWC1 · AlphaFold monomer V2.0 prediction for type III pantothenate kinase (Q9HWC1) · a predicted model of the same protein · chain B against A, TM-score 0.98

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