MolNFT v1 · #165387 · protein
N-terminally truncated hyoscyamine 6-hydroxylase (TH6H) in complex with 2-oxoglutarate
6TTO · Hyoscyamine 6 beta-hydroxylase: “N-terminally truncated hyoscyamine 6-hydroxylase (TH6H) in complex with 2-oxoglutarate”. X-ray diffraction, 4 ligands (AKG, SR, NI), 1 pocket (best druggability 0.79). MolNFT v1 #165387 on GenesisL1…
- PDB
- 6TTO
- Type
- protein
- Length
- 311 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hyoscyamine 6 beta-hydroxylase
- UniProt
- Q6EZB3
- Ligands
- AKG, SR, NI, NA
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hyoscyamine 6 beta-hydroxylase | protein | 311 | 32% helix, 28% strand | Q6EZB3 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A
- SR · Strontium ion · metal · 2 copies · chains A
- NI · Nickel (II) ion · metal · chains A
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 10 copies · chains A
- FMT · Formic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.79 | 0.88 | 53 | AKG, EDO, NI |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6TTO · N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate · 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 Q6EZB3
- Elsewhere: RCSB PDB 6TTO · PDBe 6TTO · UniProt Q6EZB3
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