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Crystal structure of a putative polyketide cyclase (LFERR_0659) from acidithiobacillus ferrooxidans atcc at 1.76 a resolution
Analyse Crystal structure of a putative polyketide cyclase (LFERR_0659) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F9S
- Type
- protein
- Length
- 285 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative polyketide cyclase
- UniProt
- B5EMY1
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative polyketide cyclase | protein | 143 | 32% helix, 41% strand | B5EMY1 |
| B | Putative polyketide cyclase | protein | 142 | 31% helix, 39% strand | B5EMY1 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.71 | 0.82 | 36 | GOL |
| 2 | 365 | 0.70 | 0.82 | 37 | GOL |
Interfaces
1 interface between chains.
- A–B · 1027 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3F9S · Crystal structure of a putative polyketide cyclase (lferr_0659) from acidithiobacillus… · 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 B5EMY1
- Elsewhere: RCSB PDB 3F9S · PDBe 3F9S · UniProt B5EMY1
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