Research workbench
Crystal structure of aerf from microcystis aeruginosa
Analyse Crystal structure of aerf from microcystis aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JH7
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short chain dehydrogenase family protein
- UniProt
- L8NWH6
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short chain dehydrogenase family protein | protein | 259 | 52% helix, 15% strand | L8NWH6 |
| B | Short chain dehydrogenase family protein | protein | 259 | 54% helix, 15% strand | L8NWH6 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · chains A
- ACT · Acetate ion · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.68 | 0.81 | 54 | empty |
| 2 | 225 | 0.68 | 0.85 | 42 | empty |
| 3 | 114 | 0.38 | 0.74 | 22 | empty |
| 4 | 84 | 0.34 | 0.74 | 18 | empty |
| 5 | 85 | 0.33 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1588 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 6JH7 · Crystal structure of AerF from Microcystis aeruginosa · 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 L8NWH6
- Elsewhere: RCSB PDB 6JH7 · PDBe 6JH7 · UniProt L8NWH6
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