MolNFT v1 · #63878 · protein
The crystal structure of mtmoiv, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in streptomyces argillaceus.
3FMW: “The crystal structure of mtmoiv, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in…”. X-ray diffraction, 1 ligand (FAD), 18 pockets (best druggability 0.77). MolNFT v1 #63878 on GenesisL1: 3D structure…
- PDB
- 3FMW
- Type
- protein
- Length
- 1,450 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxygenase
- UniProt
- Q194P4
- Ligands
- FAD
- Pockets
- 18 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxygenase | protein | 482 | 31% helix, 20% strand | Q194P4 |
| B | Oxygenase | protein | 479 | 31% helix, 20% strand | Q194P4 |
| C | Oxygenase | protein | 489 | 31% helix, 19% strand | Q194P4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 3 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 915 | 0.77 | 0.80 | 102 | FAD |
| 2 | 1030 | 0.76 | 0.78 | 98 | FAD, EDO |
| 3 | 1191 | 0.76 | 0.78 | 115 | FAD, EDO |
| 4 | 173 | 0.64 | 0.85 | 33 | empty |
| 5 | 147 | 0.60 | 0.84 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 559 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 276 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 234 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3FMW · The crystal structure of MtmOIV, a Baeyer-Villiger monooxygenase from the mithramycin… · 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
- Every structure of UniProt Q194P4
- Elsewhere: RCSB PDB 3FMW · PDBe 3FMW · UniProt Q194P4
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