Research workbench
FAD-dependent monooxygenase tropb from T. stipitatus Y239F variant
Analyse FAD-dependent monooxygenase tropb from T. stipitatus Y239F variant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NEV
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD-dependent monooxygenase tropb
- UniProt
- B8M9J8
- Ligands
- FAD, CL
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD-dependent monooxygenase tropb | protein | 431 | 41% helix, 26% strand | B8M9J8 |
| B | FAD-dependent monooxygenase tropb | protein | 431 | 42% helix, 26% strand | B8M9J8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 973 | 0.83 | 0.84 | 88 | FAD, CL |
| 2 | 1117 | 0.82 | 0.83 | 108 | FAD, CL |
| 3 | 983 | 0.81 | 0.82 | 80 | empty |
| 4 | 53 | 0.46 | 0.84 | 13 | empty |
| 5 | 53 | 0.44 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1393 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6NEV · FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant · the same entry in another collection · chain A against A, TM-score 1.00
- B8M9J8 · AlphaFold monomer V2.0 prediction for FAD-dependent monooxygenase tropb (B8M9J8) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 B8M9J8
- Elsewhere: RCSB PDB 6NEV · PDBe 6NEV · UniProt B8M9J8
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