Research workbench
Crystal structure of the complex between L-lactate oxidase and a substrate analogue at 1.59 ångström resolution
Analyse Crystal structure of the complex between L-lactate oxidase and a substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2NLI
- Type
- protein
- Length
- 678 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactate oxidase
- EC
- 1.13.12.4
- UniProt
- Q44467
- Ligands
- FMN, LAC, PEO
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactate oxidase (EC 1.13.12.4) | protein | 352 | 44% helix, 14% strand | Q44467 |
| B | Lactate oxidase (EC 1.13.12.4) | protein | 326 | 44% helix, 14% strand | Q44467 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- LAC · Lactic acid · ligand · 2 copies · chains A, B
- PEO · Hydrogen peroxide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.78 | 0.89 | 40 | FMN, LAC, PEO |
| 2 | 218 | 0.74 | 0.89 | 32 | FMN, LAC, PEO |
| 3 | 446 | 0.68 | 0.79 | 58 | empty |
| 4 | 77 | 0.63 | 0.91 | 20 | empty |
| 5 | 96 | 0.45 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1055 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2NLI · Crystal Structure of the complex between L-lactate oxidase and a substrate analogue at… · 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 Q44467
- Elsewhere: RCSB PDB 2NLI · PDBe 2NLI · UniProt Q44467
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