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Catalase structure determined by eefd (dataset 2)

Analyse Catalase structure determined by eefd (dataset 2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JNU
Type
protein
Length
1,996 residues
Chains
4
Method
electron crystallography
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Catalase
EC
1.11.1.6
UniProt
P00432
Ligands
HEM, NDP
Pockets
20 · best druggability 0.88

Structure

electron crystallography · 1 distinct chain · 33% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DCatalase (EC 1.11.1.6)protein49933% helix, 19% strandP00432

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, D, B, C
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14410.880.9653empty
26980.880.9251empty
34120.870.9651empty
46600.870.91116empty
54370.860.94101empty

Interfaces

6 interfaces between chains.

  • B–C · 4968 Ų buried · 73 hydrogen bonds · protein-protein
  • A–D · 4964 Ų buried · 64 hydrogen bonds · protein-protein
  • B–D · 4664 Ų buried · 50 hydrogen bonds · protein-protein
  • A–C · 4565 Ų buried · 43 hydrogen bonds · protein-protein
  • C–D · 2089 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 6JNU · Catalase structure determined by eEFD (dataset 2) · the same entry in another collection · chain D against D, TM-score 1.00
  • P00432 · AlphaFold monomer V2.0 prediction for catalase (P00432) · a predicted model of the same protein · chain A against A, TM-score 1.00

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