MolNFT v1 · #114602 · protein
Structure of flavin-dependent brominase BMP2 triple mutant Y302S F306V A345W
5BUL · Flavin-dependent halogenase triple mutant: “Structure of flavin-dependent brominase BMP2 triple mutant Y302S F306V A345W”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best druggability 0.79). MolNFT v1 #114602 on GenesisL1: 3D…
- PDB
- 5BUL
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin-dependent halogenase triple mutant
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavin-dependent halogenase triple mutant | protein | 392 | 41% helix, 28% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.79 | 0.87 | 57 | FAD |
| 2 | 118 | 0.52 | 0.82 | 26 | empty |
| 3 | 62 | 0.36 | 0.78 | 15 | empty |
Compared structures
- 5BUL · Structure of flavin-dependent brominase Bmp2 triple mutant Y302S F306V A345W · 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
- Elsewhere: RCSB PDB 5BUL · PDBe 5BUL
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