MolNFT v1 · #10860 · protein
Crystal structure of tabtoxin resistance protein (form II) complexed with an acyl coenzyme a
1J4J: “Crystal structure of tabtoxin resistance protein (form II) complexed with an acyl coenzyme a”. X-ray diffraction, 1 ligand (ACO), 3 pockets (best druggability 0.64). MolNFT v1 #10860 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1J4J
- Type
- protein
- Length
- 340 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tabtoxin resistance protein
- EC
- 2.3.1.-
- UniProt
- P16966
- Ligands
- ACO
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tabtoxin resistance protein (EC 2.3.1.-) | protein | 170 | 34% helix, 35% strand | P16966 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.64 | 0.79 | 41 | ACO |
| 2 | 321 | 0.63 | 0.80 | 34 | ACO |
| 3 | 301 | 0.54 | 0.76 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 531 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1J4J · Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl… · the same entry in another collection · chain A against A, TM-score 1.00
- P16966 · AlphaFold monomer V2.0 prediction for acetyltransferase (P16966) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P16966
- Elsewhere: RCSB PDB 1J4J · PDBe 1J4J · UniProt P16966
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