MolNFT v1 · #183737 · protein
Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A, beta-C92A mutant
7O1M · Putative acyltransferase RV0859: “Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A, beta-C92A mutant”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.77). MolNFT v1 #183737…
- PDB
- 7O1M
- 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
- SO4
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 47% 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 | 725 | 50% helix, 13% strand | O53872 |
Ligands and binding sites
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 | 977 | 0.77 | 0.79 | 92 | empty |
| 2 | 709 | 0.73 | 0.79 | 62 | empty |
| 3 | 687 | 0.72 | 0.78 | 79 | empty |
| 4 | 245 | 0.54 | 0.77 | 25 | empty |
| 5 | 198 | 0.46 | 0.74 | 29 | empty |
Interfaces
1 interface between chains.
- D–A · 1199 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7O1M · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A… · 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 7O1M · PDBe 7O1M · UniProt O53871 · UniProt O53872
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.