Research workbench
Crystal structure of GcoA F169I bound to guaiacol
Analyse Crystal structure of GcoA F169I bound to guaiacol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HQM
- Type
- protein
- Length
- 401 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.85
- Source
- Amycolatopsis sp. ATCC 39116
- Molecule
- Cytochrome P450
- UniProt
- A0A076MY51
- Ligands
- HEM, JZ3
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.85 · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 401 | 57% helix, 11% strand | A0A076MY51 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.86 | 0.95 | 45 | HEM, JZ3 |
| 2 | 84 | 0.38 | 0.77 | 14 | empty |
| 3 | 78 | 0.32 | 0.74 | 13 | empty |
| 4 | 52 | 0.28 | 0.74 | 15 | empty |
Compared structures
- 6HQM · Crystal structure of gcoa F169I bound to guaiacol · 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 A0A076MY51
- Elsewhere: RCSB PDB 6HQM · PDBe 6HQM · UniProt A0A076MY51
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