MolNFT v1 · #82712 · protein
Crystal structure of cyanide-insensitive alternative oxidase from trypanosoma brucei
3VV9 · Alternative oxidase, mitochondrial: “Crystal structure of cyanide-insensitive alternative oxidase from trypanosoma brucei”. X-ray diffraction, 2 ligands (FE, OH), 20 pockets (best druggability 0.80). MolNFT v1 #82712 on GenesisL1…
- PDB
- 3VV9
- Type
- protein
- Length
- 1,067 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alternative oxidase, mitochondrial
- UniProt
- Q26710
- Ligands
- FE, OH
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alternative oxidase, mitochondrial | protein | 267 | 67% helix, 0% strand | Q26710 |
| B | Alternative oxidase, mitochondrial | protein | 268 | 65% helix, 0% strand | Q26710 |
| C, D | Alternative oxidase, mitochondrial | protein | 266 | 67% helix, 0% strand | Q26710 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D
- OH · Hydroxide 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
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1103 | 0.80 | 0.81 | 75 | OH |
| 2 | 440 | 0.77 | 0.86 | 55 | empty |
| 3 | 274 | 0.73 | 0.87 | 32 | FE, OH |
| 4 | 276 | 0.73 | 0.86 | 39 | empty |
| 5 | 914 | 0.71 | 0.76 | 59 | empty |
Interfaces
5 interfaces between chains.
- A–B · 4113 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 772 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 721 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 128 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 124 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3VV9 · Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei · the same entry in another collection · chain D against D, TM-score 1.00
- Q26710 · AlphaFold monomer V2.0 prediction for alternative oxidase, mitochondrial (Q26710) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q26710
- Elsewhere: RCSB PDB 3VV9 · PDBe 3VV9 · UniProt Q26710
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