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MolNFT v1 · #189375 · protein

2.29 a structure of the human catalase

7VD9: “2.29 a structure of the human catalase”. Electron microscopy, 2 ligands (HEM, NDP), 20 pockets (best druggability 0.87). MolNFT v1 #189375 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7VD9
Type
protein
Length
1,991 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Catalase
EC
1.11.1.6
UniProt
P04040
Ligands
HEM, NDP
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 2 distinct chains · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCatalase (EC 1.11.1.6)protein49835% helix, 18% strandP04040
DCatalase (EC 1.11.1.6)protein49734% helix, 19% strandP04040

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, C, B, D
  • 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
17700.870.9151empty
22580.850.9645HEM
32620.850.9638HEM
42480.840.9637HEM
52560.840.9537HEM

Interfaces

6 interfaces between chains.

  • A–C · 5001 Ų buried · 54 hydrogen bonds · protein-protein
  • B–D · 4982 Ų buried · 66 hydrogen bonds · protein-protein
  • A–D · 4746 Ų buried · 64 hydrogen bonds · protein-protein
  • B–C · 4710 Ų buried · 61 hydrogen bonds · protein-protein
  • C–D · 2113 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 7VD9 · 2.29 A structure of the human catalase · the same entry in another collection · chain C against C, TM-score 1.00
  • P04040 · AlphaFold monomer V2.0 prediction for catalase (P04040) · a predicted model of the same protein · chain D against A, TM-score 1.00

Analyse

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