Research workbench
Crystal structure of GcoA F169H bound to syringol
Analyse Crystal structure of GcoA F169H bound to syringol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HQR
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.79
- Source
- Amycolatopsis sp. ATCC 39116
- Molecule
- Cytochrome P450
- UniProt
- A0A076MY51
- Ligands
- HEM, 3DM
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.79 · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 402 | 57% helix, 11% strand | A0A076MY51 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 3DM · 2,6-dimethoxyphenol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.86 | 0.95 | 44 | HEM, 3DM |
| 2 | 99 | 0.40 | 0.77 | 17 | empty |
| 3 | 75 | 0.32 | 0.74 | 13 | empty |
Compared structures
- 6HQR · Crystal structure of gcoa F169H bound to syringol · 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 6HQR · PDBe 6HQR · UniProt A0A076MY51
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