MolNFT v1 · #103551 · protein
Tubulin acetyltransferase complex with bisubstrate analog
4PK3 · Alpha-tubulin N-acetyltransferase 1: “Tubulin acetyltransferase complex with bisubstrate analog”. X-ray diffraction, 3 ligands (ACE, COA, NH2), 1 pocket (best druggability 0.62). MolNFT v1 #103551 on GenesisL1: 3D structure, binding…
- PDB
- 4PK3
- Type
- protein
- Length
- 192 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-tubulin N-acetyltransferase 1; Acetyl-ser-asp-(N-acetyl-lys)-thr-NH2 peptide
- EC
- 2.3.1.108
- UniProt
- Q5SQI0
- Ligands
- ACE, COA, NH2
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-tubulin N-acetyltransferase 1 (EC 2.3.1.108) | protein | 188 | 31% helix, 22% strand | Q5SQI0 |
| B | Acetyl-ser-asp-(N-acetyl-lys)-thr-NH2 peptide | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- COA · Coenzyme A · ligand · chains A, B
- NH2 · Amino group · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.62 | 0.81 | 23 | COA |
Interfaces
1 interface between chains.
- A–B · 398 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 modified (covalent ligand, acetylation).
Compared structures
- 4PK3 · tubulin acetyltransferase complex with bisubstrate analog · the same entry in another collection · chain A against A, TM-score 1.00
- Q5SQI0 · AlphaFold monomer V2.0 prediction for alpha-tubulin N-acetyltransferase 1 (Q5SQI0) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q5SQI0
- Elsewhere: RCSB PDB 4PK3 · PDBe 4PK3 · UniProt Q5SQI0
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