MolNFT v1 · #183734 · protein
Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme beta-C92A mutant
7O1J · Putative acyltransferase RV0859: “Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme beta-C92A mutant”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.72). MolNFT v1 #183734 on GenesisL1…
- PDB
- 7O1J
- Type
- protein
- Length
- 1,125 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
- 9 · best druggability 0.72
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 | 402 | 41% helix, 19% strand | O53871 |
| A | 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) | protein | 723 | 51% helix, 12% strand | O53872 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.72 | 0.78 | 77 | GOL |
| 2 | 777 | 0.72 | 0.78 | 67 | empty |
| 3 | 678 | 0.71 | 0.78 | 61 | empty |
| 4 | 273 | 0.57 | 0.77 | 25 | empty |
| 5 | 53 | 0.49 | 0.86 | 15 | empty |
Interfaces
1 interface between chains.
- D–A · 1123 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 7O1J · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme beta-C92A… · 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 7O1J · PDBe 7O1J · UniProt O53871 · UniProt O53872
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