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Catalase solved at 3.2 ångström resolution by microed

Analyse Catalase solved at 3.2 ångström resolution by microed in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3J7B
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 · 32% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DCatalase (EC 1.11.1.6)protein49932% 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, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16060.880.9452empty
23340.870.9747empty
32940.860.9639HEM
42850.850.9643HEM
52690.850.9638HEM

Interfaces

6 interfaces between chains.

  • A–D · 4984 Ų buried · 80 hydrogen bonds · protein-protein
  • B–C · 4948 Ų buried · 73 hydrogen bonds · protein-protein
  • B–D · 4837 Ų buried · 55 hydrogen bonds · protein-protein
  • A–C · 4783 Ų buried · 52 hydrogen bonds · protein-protein
  • A–B · 2194 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 3J7B · Catalase solved at 3.2 Angstrom resolution by MicroED · 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 B against A, TM-score 1.00

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