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Crystal structure of catechol 1,2-dioxygenase from pseudomonas arvilla C-1

Analyse Crystal structure of catechol 1,2-dioxygenase from pseudomonas arvilla C-1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AZQ
Type
protein
Length
309 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Catechol 1,2-dioxygenase
EC
1.13.11.1
UniProt
Q51433
Ligands
PCF, FE
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACatechol 1,2-dioxygenase (EC 1.13.11.1)protein30927% helix, 22% strandQ51433

Ligands and binding sites

  • PCF · 1,2-diacyl-sn-glycero-3-phoshocholine · ligand · chains A
  • FE · Fe (III) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12940.590.7836empty
21660.500.7829empty

Compared structures

  • 2AZQ · Crystal Structure of Catechol 1,2-Dioxygenase from Pseudomonas arvilla C-1 · the same entry in another collection · chain A against A, TM-score 1.00

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