MolNFT v1 · #169219 · protein
PANK3 complex structure with compound pz-2863
6X4J · Pantothenate kinase 3: “PANK3 complex structure with compound pz-2863”. X-ray diffraction, 3 ligands (ANP, UOM, MG), 5 pockets (best druggability 0.67). MolNFT v1 #169219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6X4J
- Type
- protein
- Length
- 352 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
- ANP, UOM, MG
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 352 | 44% helix, 27% strand | Q9H999 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- UOM · 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl) pyridine-3-carbonitrile · 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 | 289 | 0.67 | 0.82 | 30 | empty |
| 2 | 267 | 0.66 | 0.83 | 43 | MG, ANP, EDO |
| 3 | 276 | 0.55 | 0.76 | 32 | empty |
| 4 | 102 | 0.49 | 0.81 | 15 | empty |
| 5 | 92 | 0.43 | 0.79 | 19 | 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 6X4J · PDBe 6X4J · UniProt Q9H999
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