Research workbench
Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A-H462A, beta-C92A 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
- 7O1G
- Type
- protein
- Length
- 1,129 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
- SO4
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Putative acyltransferase RV0859 (EC 2.3.1.-) | protein | 402 | 41% helix, 19% strand | O53871 |
| A | 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) | protein | 727 | 51% helix, 12% strand | O53872 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.75 | 0.81 | 65 | empty |
| 2 | 326 | 0.75 | 0.86 | 42 | empty |
| 3 | 633 | 0.70 | 0.78 | 53 | empty |
| 4 | 262 | 0.57 | 0.78 | 33 | empty |
| 5 | 284 | 0.57 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- D–A · 1130 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7O1G · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme… · 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 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 O53871
- Every structure of UniProt O53872
- Elsewhere: RCSB PDB 7O1G · PDBe 7O1G · UniProt O53871 · UniProt O53872
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