Research workbench
Structure of toxin-activating acyltransferase (taat)
Analyse Structure of toxin-activating acyltransferase (taat) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WHN
- Type
- protein
- Length
- 675 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apxc
- EC
- 2.3.1.-
- UniProt
- P55132
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apxc (EC 2.3.1.-) | protein | 170 | 48% helix, 25% strand | P55132 |
| B | Apxc (EC 2.3.1.-) | protein | 169 | 47% helix, 27% strand | P55132 |
| C, D | Apxc (EC 2.3.1.-) | protein | 168 | 47% helix, 26% strand | P55132 |
Ligands and binding sites
- CIT · Citric acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.77 | 0.80 | 65 | empty |
| 2 | 234 | 0.51 | 0.75 | 29 | empty |
| 3 | 152 | 0.48 | 0.77 | 20 | CIT |
| 4 | 99 | 0.34 | 0.73 | 16 | empty |
| 5 | 89 | 0.32 | 0.73 | 16 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1298 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 973 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 932 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 751 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4WHN · Structure of toxin-activating acyltransferase (TAAT) · the same entry in another collection · chain A against A, TM-score 1.00
- P55132 · AlphaFold monomer V2.0 prediction for rtx-I toxin-activating lysine- acyltransferase… · a predicted model of the same protein · chain C against A, TM-score 0.93
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 P55132
- Elsewhere: RCSB PDB 4WHN · PDBe 4WHN · UniProt P55132
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