MolNFT v1 · #117532 · protein
Unliganded structure of the ornithine aminotransferase from toxoplasma gondii
5EAV · Ornithine aminotransferase, mitochondrial, putative: “Unliganded structure of the ornithine aminotransferase from toxoplasma gondii”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.78). MolNFT v1 #117532 on…
- PDB
- 5EAV
- Type
- protein
- Length
- 843 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine aminotransferase, mitochondrial, putative
- EC
- 2.6.1.13
- UniProt
- S8EY38
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ornithine aminotransferase, mitochondrial, putative (EC 2.6.1.13) | protein | 422 | 41% helix, 19% strand | S8EY38 |
| B | Ornithine aminotransferase, mitochondrial, putative (EC 2.6.1.13) | protein | 421 | 41% helix, 19% strand | S8EY38 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 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 | 483 | 0.78 | 0.86 | 69 | SO4 |
| 2 | 463 | 0.77 | 0.85 | 65 | SO4 |
| 3 | 75 | 0.56 | 0.87 | 21 | empty |
| 4 | 73 | 0.56 | 0.87 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 5914 Ų buried · 90 hydrogen bonds · protein-protein
Compared structures
- 5EAV · Unliganded structure of the ornithine aminotransferase from Toxoplasma gondii · the same entry in another collection · chain B against B, 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 S8EY38
- Elsewhere: RCSB PDB 5EAV · PDBe 5EAV · UniProt S8EY38
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