MolNFT v1 · #134496 · protein
Crystal structure of aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand
5T5U · Glycylpeptide N-tetradecanoyltransferase: “Crystal structure of aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a…”. X-ray diffraction, 2 ligands (MYA, 75T), 4 pockets (best druggability 0.77). MolNFT…
- PDB
- 5T5U
- Type
- protein
- Length
- 392 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, 75T
- Pockets
- 4 · best druggability 0.77
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 | 392 | 29% helix, 31% strand | Q9UVX3 |
Ligands and binding sites
- MYA · Tetradecanoyl-coa · ligand · chains A
- 75T · 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.77 | 0.80 | 79 | MYA, 75T |
| 2 | 52 | 0.69 | 0.97 | 18 | empty |
| 3 | 93 | 0.43 | 0.78 | 17 | empty |
| 4 | 60 | 0.30 | 0.75 | 17 | empty |
Compared structures
- 5T5U · 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 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 Q9UVX3
- Elsewhere: RCSB PDB 5T5U · PDBe 5T5U · UniProt Q9UVX3
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