Research workbench
Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme in space group C2221 (unliganded)
Analyse Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O4Q
- Type
- protein
- Length
- 1,128 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyacyl-CoA dehydrogenase; Putative acyltransferase RV0859
- EC
- 1.1.1.35, 2.3.1.-
- UniProt
- O53872, O53871
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) | protein | 726 | 51% helix, 13% strand | O53872 |
| C | Putative acyltransferase RV0859 (EC 2.3.1.-) | protein | 402 | 42% helix, 19% strand | O53871 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 682 | 0.75 | 0.81 | 58 | GOL |
| 2 | 912 | 0.75 | 0.78 | 73 | GOL |
| 3 | 767 | 0.73 | 0.78 | 74 | empty |
| 4 | 265 | 0.56 | 0.77 | 25 | empty |
| 5 | 157 | 0.44 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- B–C · 1180 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7O4Q · Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in space… · the same entry in another collection · chain B against B, TM-score 1.00
- O53871 · AlphaFold monomer V2.0 prediction for putative acyltransferase RV0859 (O53871) · a predicted model of the same protein · chain C 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 O53872
- Every structure of UniProt O53871
- Elsewhere: RCSB PDB 7O4Q · PDBe 7O4Q · UniProt O53872 · UniProt O53871
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.