Research workbench
Apo structure of the short chain oxidoreductase Q9HYA2 from pseudomonas aeruginosa PAO1 containing an atypical catalytic center
Analyse Apo structure of the short chain oxidoreductase Q9HYA2 from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LF1
- Type
- protein
- Length
- 524 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short chain oxidoreductase Q9HYA2
- UniProt
- Q9HYA2
- Ligands
- MN, CL
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Short chain oxidoreductase Q9HYA2 | protein | 262 | 49% helix, 17% strand | Q9HYA2 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 674 | 0.74 | 0.80 | 55 | CL |
| 2 | 665 | 0.74 | 0.80 | 55 | CL |
| 3 | 338 | 0.73 | 0.85 | 27 | MN |
| 4 | 208 | 0.56 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1514 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3LF1 · Apo structure of The Short Chain Oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1… · 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 Q9HYA2
- Elsewhere: RCSB PDB 3LF1 · PDBe 3LF1 · UniProt Q9HYA2
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