MolNFT v1 · #86944 · protein
Crystal structure of fungal versatile peroxidase I from pleurotus ostreatus - crystal form V
4BLY: “Crystal structure of fungal versatile peroxidase I from pleurotus ostreatus - crystal form V”. X-ray diffraction, 3 ligands (HEM, CA, SO4), 1 pocket (best druggability 0.81). MolNFT v1 #86944 on GenesisL1: 3D structure, binding…
- PDB
- 4BLY
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Versatile peroxidase I
- EC
- 1.11.1.16
- Ligands
- HEM, CA, SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Versatile peroxidase I (EC 1.11.1.16) | protein | 329 | 41% helix, 8% strand | — |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.81 | 0.89 | 46 | HEM |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4BLY · Crystal structure of fungal versatile peroxidase I from pleurotus ostreatus - crystal… · the same entry in another collection · 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
- Elsewhere: RCSB PDB 4BLY · PDBe 4BLY
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