Research workbench
Redox regulation of plasmodium falciparum ornithine delta- aminotransferase
Analyse Redox regulation of plasmodium falciparum ornithine delta- aminotransferase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NTJ
- Type
- protein
- Length
- 1,544 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine aminotransferase
- EC
- 2.6.1.13
- UniProt
- Q6LFH8
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ornithine aminotransferase (EC 2.6.1.13) | protein | 381 | 42% helix, 20% strand | Q6LFH8 |
| B | Ornithine aminotransferase (EC 2.6.1.13) | protein | 393 | 40% helix, 20% strand | Q6LFH8 |
| C | Ornithine aminotransferase (EC 2.6.1.13) | protein | 386 | 41% helix, 20% strand | Q6LFH8 |
| D | Ornithine aminotransferase (EC 2.6.1.13) | protein | 384 | 41% helix, 20% strand | Q6LFH8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1084 | 0.79 | 0.80 | 120 | SO4 |
| 2 | 503 | 0.70 | 0.80 | 56 | SO4 |
| 3 | 531 | 0.69 | 0.79 | 49 | SO4 |
| 4 | 217 | 0.54 | 0.78 | 30 | empty |
| 5 | 61 | 0.49 | 0.85 | 29 | empty |
Interfaces
4 interfaces between chains.
- C–D · 3916 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 3910 Ų buried · 39 hydrogen bonds · protein-protein
- A–C · 506 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 205 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3NTJ · Redox regulation of Plasmodium falciparum ornithine delta-aminotransferase · the same entry in another collection · chain C against C, TM-score 1.00
- Q6LFH8 · AlphaFold monomer V2.0 prediction for ornithine aminotransferase (Q6LFH8) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q6LFH8
- Elsewhere: RCSB PDB 3NTJ · PDBe 3NTJ · UniProt Q6LFH8
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