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Crystal structure of aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
Analyse Crystal structure of aspergillus fumigatus N-myristoyl transferase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CAX
- Type
- protein
- Length
- 387 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
- MYA, 646
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycylpeptide N-tetradecanoyltransferase (EC 2.3.1.97) | protein | 387 | 29% helix, 31% strand | Q9UVX3 |
Ligands and binding sites
- MYA · Tetradecanoyl-coa · ligand · chains A
- 646 · 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide · ligand · 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 | 822 | 0.76 | 0.80 | 86 | MYA, 646 |
| 2 | 102 | 0.44 | 0.78 | 15 | empty |
Compared structures
- 4CAX · Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with… · 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 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 Q9UVX3
- Elsewhere: RCSB PDB 4CAX · PDBe 4CAX · UniProt Q9UVX3
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