MolNFT v1 · #159848 · protein
Rebh variant 10S, tryptamine 5-halogenase
6P2V · Flavin-dependent tryptophan halogenase rebh: “Rebh variant 10S, tryptamine 5-halogenase”. X-ray diffraction, 1 ligand (FAD), 7 pockets (best druggability 0.83). MolNFT v1 #159848 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6P2V
- Type
- protein
- Length
- 1,044 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin-dependent tryptophan halogenase rebh
- EC
- 1.14.19.9
- UniProt
- Q8KHZ8
- Ligands
- FAD
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavin-dependent tryptophan halogenase rebh (EC 1.14.19.9) | protein | 523 | 39% helix, 21% strand | Q8KHZ8 |
| B | Flavin-dependent tryptophan halogenase rebh (EC 1.14.19.9) | protein | 521 | 40% helix, 21% strand | Q8KHZ8 |
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
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.83 | 0.84 | 121 | empty |
| 2 | 847 | 0.81 | 0.84 | 79 | empty |
| 3 | 806 | 0.77 | 0.80 | 62 | FAD |
| 4 | 766 | 0.75 | 0.80 | 62 | FAD |
| 5 | 131 | 0.42 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1411 Ų buried · 6 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 Q8KHZ8
- Elsewhere: RCSB PDB 6P2V · PDBe 6P2V · UniProt Q8KHZ8
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