MolNFT v1 · #58190 · protein
Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with pantothenol
3AVP: “Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with pantothenol”. X-ray diffraction, 2 ligands (MV2, NA), 6 pockets (best druggability 0.77). MolNFT v1 #58190 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AVP
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase
- EC
- 2.7.1.33
- UniProt
- P63810
- Ligands
- MV2, NA
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase (EC 2.7.1.33) | protein | 307 | 46% helix, 19% strand | P63810 |
Ligands and binding sites
- MV2 · (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 11 copies · chains A
- FLC · Citrate anion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.77 | 0.82 | 55 | MV2, FLC, NA, GOL |
| 2 | 80 | 0.57 | 0.87 | 21 | empty |
| 3 | 65 | 0.46 | 0.83 | 17 | empty |
| 4 | 51 | 0.35 | 0.79 | 13 | empty |
| 5 | 85 | 0.31 | 0.73 | 23 | empty |
Compared structures
- 3AVP · Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol · 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 P63810
- Elsewhere: RCSB PDB 3AVP · PDBe 3AVP · UniProt P63810
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.