MolNFT v2 · #151388 · protein
Structure of the AtaT Y144F mutant toxin
6GTP · N-acetyltransferase: “Structure of the AtaT Y144F mutant toxin”. X-ray diffraction at 2.5, 3 ligands (ACO, MG, CL), 2 pockets (best druggability 0.60). MolNFT v2 #151388 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GTP
- Type
- protein
- Length
- 180 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.5
- Source
- Escherichia coli
- Molecule
- N-acetyltransferase
- UniProt
- A0A1V3CQ74
- Ligands
- ACO, MG, CL
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · resolution 2.5 · 1 distinct chain · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetyltransferase | protein | 180 | 31% helix, 29% strand | A0A1V3CQ74 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.60 | 0.79 | 28 | ACO |
| 2 | 202 | 0.49 | 0.76 | 29 | empty |
Compared structures
- 6GTP · Structure of the atat Y144F mutant toxin · 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 A0A1V3CQ74
- Elsewhere: RCSB PDB 6GTP · PDBe 6GTP · UniProt A0A1V3CQ74
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