MolNFT v1 · #124808 · protein
PANK3-amppn complex
5KQ8 · Pantothenate kinase 3: “PANK3-amppn complex”. X-ray diffraction, 2 ligands (AN2, MG), 5 pockets (best druggability 0.71). MolNFT v1 #124808 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KQ8
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase 3
- EC
- 2.7.1.33
- UniProt
- Q9H999
- Ligands
- AN2, MG
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 355 | 41% helix, 28% strand | Q9H999 |
Ligands and binding sites
- AN2 · Amp phosphoramidate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.71 | 0.82 | 37 | empty |
| 2 | 286 | 0.67 | 0.83 | 47 | AN2, MG, EDO |
| 3 | 255 | 0.54 | 0.76 | 31 | empty |
| 4 | 101 | 0.47 | 0.80 | 14 | empty |
| 5 | 87 | 0.41 | 0.78 | 20 | empty |
Compared structures
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 Q9H999
- Elsewhere: RCSB PDB 5KQ8 · PDBe 5KQ8 · UniProt Q9H999
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