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Crystal Structure of Brevianamide F Prenyltransferase Complexed with Brevianamide F and Dimethylallyl S-thiolodiphosphate
Analyse Crystal Structure of Brevianamide F Prenyltransferase Complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O2K
- Type
- protein
- Length
- 429 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.4
- Source
- Aspergillus fumigatus
- Molecule
- Brevianamide F prenyltransferase
- UniProt
- Q4G2I1
- Ligands
- DST, QRP, CL
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.4 · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Brevianamide F prenyltransferase | protein | 429 | 39% helix, 20% strand | Q4G2I1 |
Ligands and binding sites
- DST · Dimethylallyl S-thiolodiphosphate · ligand · chains A
- QRP · (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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 | 593 | 0.78 | 0.84 | 83 | DST, QRP |
| 2 | 66 | 0.31 | 0.75 | 22 | empty |
| 3 | 62 | 0.28 | 0.73 | 15 | empty |
Compared structures
- 3O2K · Crystal structure of brevianamide F prenyltransferase complexed with brevianamide F and… · 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 Q4G2I1
- Elsewhere: RCSB PDB 3O2K · PDBe 3O2K · UniProt Q4G2I1
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