MolNFT v2 · #168851 · protein
Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure
6VIA · 3-hydroxyanthranilate 3,4-dioxygenase: “Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound…”. X-ray diffraction at 1.591, 4 ligands (EAY, FE2, FE), 1 pocket (best druggability…
- PDB
- 6VIA
- Type
- protein
- Length
- 176 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.591
- Source
- Cupriavidus metallidurans (strain ATCC 43123 / DSM 2839 / NBRC 102507 / CH34)
- Molecule
- 3-hydroxyanthranilate 3,4-dioxygenase
- EC
- 1.13.11.6
- UniProt
- Q1LCS4
- Ligands
- EAY, FE2, FE, OH
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.591 · 1 distinct chain · 15% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6) | protein | 176 | 15% helix, 37% strand | Q1LCS4 |
Ligands and binding sites
- EAY · (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- FE · Fe (III) ion · metal · chains A
- OH · Hydroxide ion · ion · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · 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 | 342 | 0.71 | 0.84 | 41 | OH, EAY |
Compared structures
- 6VIA · Observing a ring-cleaving dioxygenase in action through a crystalline lens - a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1LCS4 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (Q1LCS4) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q1LCS4
- Elsewhere: RCSB PDB 6VIA · PDBe 6VIA · UniProt Q1LCS4
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