Research workbench
Tracing the evolution of angucyclinone monooxygenases: structural determinants for C-12B hydroxylation and substrate inhibition in pgae
Analyse Tracing the evolution of angucyclinone monooxygenases: structural determinants… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ICY
- Type
- protein
- Length
- 462 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide oxygenase pgae
- UniProt
- Q93LY7
- Ligands
- FAD, SO4, CL
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide oxygenase pgae | protein | 462 | 35% helix, 26% strand | Q93LY7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1037 | 0.78 | 0.80 | 83 | FAD, EDO, CL |
| 2 | 72 | 0.59 | 0.89 | 22 | EDO |
| 3 | 176 | 0.52 | 0.78 | 27 | empty |
| 4 | 90 | 0.52 | 0.83 | 22 | GOL, EDO |
Compared structures
- 4ICY · Tracing the Evolution of Angucycli Monooxygenases: Structural Determinants for C-12b… · 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 Q93LY7
- Elsewhere: RCSB PDB 4ICY · PDBe 4ICY · UniProt Q93LY7
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