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Crystal structure of pantoate--beta-alanine ligase (panc) from thermotoga maritima

Analyse Crystal structure of pantoate--beta-alanine ligase (panc) from thermotoga… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EJC
Type
protein
Length
280 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pantoate--beta-alanine ligase
EC
6.3.2.1
UniProt
Q9X0G6
Ligands
ZN
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APantoate--beta-alanine ligase (EC 6.3.2.1)protein28044% helix, 22% strandQ9X0G6

Ligands and binding sites

  • ZN · Zinc ion · metal · 22 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16820.830.8779ZN
2600.380.7916empty
3620.300.7417empty

Compared structures

  • 2EJC · Crystal Structure Of Pantoate--Beta-Alanine Ligase (panC) From Thermotoga maritima · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0G6 · AlphaFold monomer V2.0 prediction for pantothenate synthetase (Q9X0G6) · a predicted model of the same protein · chain A against A, TM-score 0.97

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