MolNFT v1 · #167356 · protein
Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure
6VI9 · 3-hydroxyanthranilate 3,4-dioxygenase: “Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure”. X-ray diffraction, 2 ligands (QXM, FE2), 2 pockets (best druggability 0.68).…
- PDB
- 6VI9
- Type
- protein
- Length
- 171 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyanthranilate 3,4-dioxygenase
- EC
- 1.13.11.6
- UniProt
- Q1LCS4
- Ligands
- QXM, FE2
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6) | protein | 171 | 13% helix, 35% strand | Q1LCS4 |
Ligands and binding sites
- QXM · (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.68 | 0.85 | 31 | QXM |
| 2 | 63 | 0.33 | 0.77 | 14 | empty |
Compared structures
- 6VI9 · Observing a ring-cleaving dioxygenase in action through a crystalline lens - an… · 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 0.99
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 6VI9 · PDBe 6VI9 · UniProt Q1LCS4
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