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Crystal structure of CAB1 pantothenate kinase from saccharomyces cerevisiae

Analyse Crystal structure of CAB1 pantothenate kinase from saccharomyces cerevisiae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UJ5
Type
protein
Length
661 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pantothenate kinase CAB1
EC
2.7.1.33
UniProt
Q04430
Ligands
MG
Pockets
7 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APantothenate kinase CAB1 (EC 2.7.1.33)protein32438% helix, 26% strandQ04430
BPantothenate kinase CAB1 (EC 2.7.1.33)protein33743% helix, 25% strandQ04430

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14330.760.8566empty
25500.730.8161empty
32270.560.7836empty
4810.470.8122empty
5940.350.7520empty

Interfaces

1 interface between chains.

  • A–B · 2653 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 6UJ5 · Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04430 · AlphaFold monomer V2.0 prediction for pantothenate kinase CAB1 (Q04430) · a predicted model of the same protein · chain B against A, TM-score 0.95

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