Research workbench
Structure of the S726F mutant of acyltransferase domain of mycocerosic acid synthase from mycobacterium tuberculosis
Analyse Structure of the S726F mutant of acyltransferase domain of mycocerosic acid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AGQ
- Type
- protein
- Length
- 858 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycocerosic acid synthase
- EC
- 2.3.1.111
- UniProt
- Q02251
- Pockets
- 10 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mycocerosic acid synthase (EC 2.3.1.111) | protein | 428 | 46% helix, 14% strand | Q02251 |
| B | Mycocerosic acid synthase (EC 2.3.1.111) | protein | 430 | 46% helix, 13% strand | Q02251 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.68 | 0.81 | 44 | ACT |
| 2 | 342 | 0.62 | 0.78 | 35 | ACT |
| 3 | 95 | 0.59 | 0.87 | 19 | empty |
| 4 | 169 | 0.44 | 0.75 | 27 | empty |
| 5 | 106 | 0.39 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 383 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7AGQ · Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q02251 · AlphaFold monomer V2.0 prediction for mycocerosic acid synthase (Q02251) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q02251
- Elsewhere: RCSB PDB 7AGQ · PDBe 7AGQ · UniProt Q02251
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