Research workbench
Crystal structure of the catalase-peroxidase from neurospora crassa at 2.6 a
Analyse Crystal structure of the catalase-peroxidase from neurospora crassa at 2.6 a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WHS
- Type
- protein
- Length
- 1,426 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase-peroxidase
- EC
- 1.11.1.21
- UniProt
- Q8X182
- Ligands
- HEM
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Catalase-peroxidase (EC 1.11.1.21) | protein | 713 | 43% helix, 8% strand | Q8X182 |
Ligands and binding sites
- 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
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 574 | 0.85 | 0.90 | 60 | empty |
| 2 | 557 | 0.81 | 0.87 | 70 | HEM |
| 3 | 559 | 0.80 | 0.86 | 71 | HEM |
| 4 | 91 | 0.76 | 0.98 | 20 | empty |
| 5 | 94 | 0.76 | 0.97 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4759 Ų buried · 57 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 5WHS · Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.6 A · the same entry in another collection · chain B against B, TM-score 1.00
- Q8X182 · AlphaFold monomer V2.0 prediction for catalase-peroxidase (Q8X182) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8X182
- Elsewhere: RCSB PDB 5WHS · PDBe 5WHS · UniProt Q8X182
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