MolNFT v1 · #97166 · protein
The 2.0 ångström crystal structure of mtmoiv, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in streptomyces argillaceus.
4K5R: “The 2.0 ångström crystal structure of mtmoiv, a baeyer-villiger monooxygenase from the mithramycin…”. X-ray diffraction, 1 ligand (FAD), 12 pockets (best druggability 0.78). MolNFT v1 #97166 on GenesisL1: 3D structure, binding sites…
- PDB
- 4K5R
- Type
- protein
- Length
- 981 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxygenase
- UniProt
- Q194P4
- Ligands
- FAD
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxygenase | protein | 490 | 34% helix, 27% strand | Q194P4 |
| B | Oxygenase | protein | 491 | 34% helix, 26% strand | Q194P4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1163 | 0.78 | 0.80 | 101 | FAD |
| 2 | 1151 | 0.77 | 0.79 | 91 | FAD |
| 3 | 84 | 0.56 | 0.87 | 21 | empty |
| 4 | 83 | 0.56 | 0.86 | 21 | empty |
| 5 | 156 | 0.47 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 239 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4K5R · The 2.0 angstrom crystal structure of MTMOIV, a baeyer-villiger monooxygenase from the… · 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 4K5R · PDBe 4K5R · UniProt Q194P4
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