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Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora
Analyse Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7C3E
- Type
- protein
- Length
- 1,378 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.183
- Source
- Arthrobotrys oligospora (strain ATCC 24927 / CBS 115.81 / DSM 1491)
- Molecule
- AofleA
- UniProt
- G1XA82
- Ligands
- SO4
- Pockets
- 16 · best druggability 0.90
Structure
x-ray diffraction · resolution 2.183 · 2 distinct chains · 2% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | AofleA | protein | 345 | 2% helix, 52% strand | G1XA82 |
| B, D | AofleA | protein | 344 | 2% helix, 53% strand | G1XA82 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 15 copies · chains A, B, C, D
- GOL · Glycerol · additive · 24 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.90 | 0.92 | 139 | GOL, SO4 |
| 2 | 1159 | 0.89 | 0.91 | 132 | SO4 |
| 3 | 555 | 0.83 | 0.88 | 54 | SO4 |
| 4 | 571 | 0.82 | 0.87 | 59 | SO4 |
| 5 | 323 | 0.59 | 0.77 | 39 | GOL |
Interfaces
3 interfaces between chains.
- A–B · 1724 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1719 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 260 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7C3E · Crystal structure of R97A/R150A/R203A mutant of aoflea from arthrobotrys oligospora · 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 G1XA82
- Elsewhere: RCSB PDB 7C3E · PDBe 7C3E · UniProt G1XA82
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