MolNFT v1 · #150440 · protein
Structure of the atat Y144F mutant toxin bound to the C-terminus of the antitoxin atar
6GTQ · N-acetyltransferase: “Structure of the atat Y144F mutant toxin bound to the C-terminus of the antitoxin atar”. X-ray diffraction, 3 ligands (CL, PO4, IOD), 4 pockets (best druggability 0.59). MolNFT v1 #150440 on GenesisL1: 3D…
- PDB
- 6GTQ
- Type
- protein
- Length
- 393 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyltransferase; DUF1778 domain-containing protein
- UniProt
- A0A1V3CQ74, J7QA90
- Ligands
- CL, PO4, IOD
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetyltransferase | protein | 160 | 35% helix, 31% strand | A0A1V3CQ74 |
| B | N-acetyltransferase | protein | 158 | 37% helix, 30% strand | A0A1V3CQ74 |
| C | DUF1778 domain-containing protein | protein | 38 | 55% helix, 11% strand | J7QA90 |
| D | DUF1778 domain-containing protein | protein | 37 | 57% helix, 11% strand | J7QA90 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains A
- IOD · Iodide ion · ion · chains B
- ACT · Acetate ion · additive · 5 copies · chains A, C, B, D
- GOL · Glycerol · additive · 4 copies · chains A, B, D
- FLC · Citrate anion · additive · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.59 | 0.78 | 30 | GOL |
| 2 | 181 | 0.54 | 0.79 | 34 | ACT, GOL |
| 3 | 82 | 0.53 | 0.85 | 17 | empty |
| 4 | 221 | 0.52 | 0.76 | 27 | CL, GOL |
Interfaces
5 interfaces between chains.
- B–D · 1690 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1620 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 843 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 111 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 81 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6GTQ · Structure of the AtaT Y144F mutant toxin bound to the C-terminus of the antitoxin AtaR · 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
- Every structure of UniProt J7QA90
- Elsewhere: RCSB PDB 6GTQ · PDBe 6GTQ · UniProt A0A1V3CQ74 · UniProt J7QA90
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