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Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas aeruginosa in complex with GTP

Analyse Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XGD
Type
protein
Length
548 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein PA0861
UniProt
Q9I580
Ligands
GTP, MG
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein PA0861protein54844% helix, 24% strandQ9I580

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19790.740.7786GTP, MG
21690.650.8526empty
3530.310.7614empty

Compared structures

  • 5XGD · Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in… · the same entry in another collection · chain A against A, TM-score 1.00

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