MolNFT v1 · #104478 · protein
Crystal structure of N-myristoyl transferase from aspergillus fumigatus complexed with a synthetic inhibitor
4QBJ · Glycylpeptide N-tetradecanoyltransferase: “Crystal structure of N-myristoyl transferase from aspergillus fumigatus complexed with a synthetic inhibitor”. X-ray diffraction, 3 ligands (NHM, 2XQ, SO4), 2 pockets (best druggability…
- PDB
- 4QBJ
- Type
- protein
- Length
- 396 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycylpeptide N-tetradecanoyltransferase
- EC
- 2.3.1.97
- UniProt
- Q9UVX3
- Ligands
- NHM, 2XQ, SO4
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycylpeptide N-tetradecanoyltransferase (EC 2.3.1.97) | protein | 396 | 29% helix, 30% strand | Q9UVX3 |
Ligands and binding sites
- NHM · S-(2-oxo)pentadecylcoa · ligand · chains A
- 2XQ · 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 3 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 | 976 | 0.80 | 0.81 | 96 | NHM, 2XQ |
| 2 | 82 | 0.40 | 0.78 | 16 | empty |
Compared structures
- 4QBJ · Crystal structure of N-myristoyl transferase from Aspergillus fumigatus complexed with a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UVX3 · AlphaFold monomer V2.0 prediction for glycylpeptide N-tetradecanoyltransferase (Q9UVX3) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9UVX3
- Elsewhere: RCSB PDB 4QBJ · PDBe 4QBJ · UniProt Q9UVX3
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