MolNFT v1 · #167217 · protein
Crystal structure of reduced sfmd by soaking with sodium hydrosulfite
6VE0 · 3-methyl-L-tyrosine peroxygenase: “Crystal structure of reduced sfmd by soaking with sodium hydrosulfite”. X-ray diffraction, 1 ligand (HEC), 4 pockets (best druggability 0.68). MolNFT v1 #167217 on GenesisL1: 3D structure, binding…
- PDB
- 6VE0
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-methyl-L-tyrosine peroxygenase
- EC
- 1.11.2.5
- UniProt
- B0CN28
- Ligands
- HEC
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-methyl-L-tyrosine peroxygenase (EC 1.11.2.5) | protein | 303 | 60% helix, 3% strand | B0CN28 |
Ligands and binding sites
- HEC · Heme C · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.68 | 0.85 | 28 | HEC |
| 2 | 122 | 0.48 | 0.79 | 26 | empty |
| 3 | 73 | 0.35 | 0.76 | 18 | empty |
| 4 | 51 | 0.25 | 0.72 | 11 | empty |
Modifications
Observed in the structure: 1 cofactor (heme c attachment).
Compared structures
- 6VE0 · Crystal structure of reduced SfmD by soaking with sodium hydrosulfite · the same entry in another collection · chain A against A, TM-score 1.00
- B0CN28 · AlphaFold monomer V2.0 prediction for 3-methyl-L-tyrosine peroxygenase (B0CN28) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 B0CN28
- Elsewhere: RCSB PDB 6VE0 · PDBe 6VE0 · UniProt B0CN28
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