MolNFT v1 · #112995 · protein
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor.
5A28 · Glycylpeptide N-tetradecanoyltransferase: “Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor.”. X-ray diffraction, 3 ligands (MYA, TUQ, MG), 3 pockets (best druggability 0.80). MolNFT…
- PDB
- 5A28
- Type
- protein
- Length
- 411 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
- Q4Q5S8
- Ligands
- MYA, TUQ, MG
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycylpeptide N-tetradecanoyltransferase (EC 2.3.1.97) | protein | 411 | 31% helix, 28% strand | Q4Q5S8 |
Ligands and binding sites
- MYA · Tetradecanoyl-coa · ligand · chains A
- TUQ · 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.80 | 0.82 | 94 | MYA, TUQ, MG |
| 2 | 63 | 0.72 | 0.97 | 25 | empty |
| 3 | 135 | 0.43 | 0.76 | 25 | empty |
Compared structures
- 5A28 · Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole… · the same entry in another collection · 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 Q4Q5S8
- Elsewhere: RCSB PDB 5A28 · PDBe 5A28 · UniProt Q4Q5S8
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