MolNFT v1 · #157922 · protein
FAD-dependent monooxygenase tropb from T. stipitatus
6NES: “FAD-dependent monooxygenase tropb from T. stipitatus”. X-ray diffraction, 2 ligands (FAD, CL), 5 pockets (best druggability 0.84). MolNFT v1 #157922 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NES
- Type
- protein
- Length
- 861 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
- 5 · best druggability 0.84
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 | 430 | 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
- HEZ · Hexane-1,6-diol · additive · 5 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.84 | 0.85 | 91 | HEZ, FAD, CL |
| 2 | 1139 | 0.82 | 0.82 | 110 | HEZ, FAD, CL |
| 3 | 998 | 0.81 | 0.82 | 81 | GOL |
| 4 | 84 | 0.45 | 0.80 | 13 | empty |
| 5 | 56 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1357 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
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 6NES · PDBe 6NES · UniProt B8M9J8
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