Research workbench
Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A mutant
Analyse Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O1I
- Type
- protein
- Length
- 1,127 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acyltransferase RV0859; 3-hydroxyacyl-CoA dehydrogenase
- EC
- 2.3.1.-, 1.1.1.35
- UniProt
- O53871, O53872
- Ligands
- COA, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Putative acyltransferase RV0859 (EC 2.3.1.-) | protein | 401 | 44% helix, 20% strand | O53871 |
| A | 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) | protein | 726 | 50% helix, 12% strand | O53872 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains D
- SO4 · Sulfate ion · ion · 10 copies · chains D, A
- GOL · Glycerol · additive · 2 copies · chains D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.76 | 0.79 | 74 | empty |
| 2 | 802 | 0.75 | 0.79 | 80 | SO4 |
| 3 | 597 | 0.72 | 0.79 | 54 | GOL |
| 4 | 267 | 0.55 | 0.77 | 26 | empty |
| 5 | 190 | 0.45 | 0.74 | 29 | empty |
Interfaces
1 interface between chains.
- D–A · 1130 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 7O1I · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A… · the same entry in another collection · chain D against D, TM-score 1.00
- O53871 · AlphaFold monomer V2.0 prediction for putative acyltransferase RV0859 (O53871) · a predicted model of the same protein · chain D 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 O53871
- Every structure of UniProt O53872
- Elsewhere: RCSB PDB 7O1I · PDBe 7O1I · UniProt O53871 · UniProt O53872
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.