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MolNFT v1 · #22200 · protein

Crystal structure of the catalase-1 from neurospora crassa, native structure at 1.75A resolution.

1SY7 · Catalase 1: “Crystal structure of the catalase-1 from neurospora crassa, native structure at 1.75A resolution.”. X-ray diffraction, 2 ligands (HDD, HEM), 19 pockets (best druggability 0.81). MolNFT v1 #22200 on GenesisL1: 3D…

PDB
1SY7
Type
protein
Length
1,396 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Catalase 1
EC
1.11.1.6
UniProt
Q9C168
Ligands
HDD, HEM
Pockets
19 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCatalase 1 (EC 1.11.1.6)protein69831% helix, 17% strandQ9C168

Ligands and binding sites

  • HDD · Cis-heme D hydroxychlorin gamma-spirolactone · ligand · 2 copies · chains A, B
  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13140.810.9149HDD, HEM
22860.770.8938HDD, HEM
3530.700.9821empty
4500.700.9822empty
54560.630.7752empty

Interfaces

1 interface between chains.

  • A–B · 4544 Ų buried · 60 hydrogen bonds · protein-protein

Compared structures

  • 1SY7 · Crystal structure of the catalase-1 from Neurospora crassa, native structure at 1.75A… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9C168 · AlphaFold monomer V2.0 prediction for catalase-1 (Q9C168) · a predicted model of the same protein · chain B against A, TM-score 0.99

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