MolNFT v2 · #90383 · protein
Crystal structure of a monomeric SCP2-thiolase like protein type 1 (STLP1) from Mycobacterium smegmatis
4EGV · Acetyl-CoA acetyltransferase: “Crystal structure of a monomeric SCP2-thiolase like protein type 1 (STLP1) from Mycobacterium smegmatis”. X-ray diffraction at 2.71, 20 pockets (best druggability 0.70). MolNFT v2 #90383 on GenesisL1…
- PDB
- 4EGV
- Type
- protein
- Length
- 2,694 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.71
- Source
- Mycobacterium smegmatis
- Molecule
- Acetyl-CoA acetyltransferase
- UniProt
- A0R3M0
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · resolution 2.71 · 6 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA acetyltransferase | protein | 448 | 38% helix, 24% strand | A0R3M0 |
| B | Acetyl-CoA acetyltransferase | protein | 452 | 38% helix, 24% strand | A0R3M0 |
| C | Acetyl-CoA acetyltransferase | protein | 453 | 37% helix, 24% strand | A0R3M0 |
| D | Acetyl-CoA acetyltransferase | protein | 445 | 38% helix, 25% strand | A0R3M0 |
| E | Acetyl-CoA acetyltransferase | protein | 447 | 36% helix, 25% strand | A0R3M0 |
| F | Acetyl-CoA acetyltransferase | protein | 449 | 37% helix, 25% strand | A0R3M0 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 905 | 0.70 | 0.75 | 93 | empty |
| 2 | 763 | 0.67 | 0.75 | 90 | empty |
| 3 | 565 | 0.66 | 0.76 | 77 | empty |
| 4 | 335 | 0.63 | 0.79 | 42 | empty |
| 5 | 366 | 0.62 | 0.78 | 49 | empty |
Interfaces
11 interfaces between chains.
- E–F · 723 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 680 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 646 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 618 Ų buried · 4 hydrogen bonds · protein-protein
- D–F · 610 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 58 modified (engineered).
Compared structures
- 4EGV · Crystal structure of a monomeric SCP2-thiolase like protein type 1 (STLP1) from… · the same entry in another collection · chain A 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 A0R3M0
- Elsewhere: RCSB PDB 4EGV · PDBe 4EGV · UniProt A0R3M0
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