MolNFT v1 · #36578 · protein
Structure of the type III coaa from pseudomonas aeruginosa
2F9W · Pantothenate kinase: “Structure of the type III coaa from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (PAU), 2 pockets (best druggability 0.76). MolNFT v1 #36578 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2F9W
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase
- EC
- 2.7.1.33
- UniProt
- Q9HWC1
- Ligands
- PAU
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pantothenate kinase (EC 2.7.1.33) | protein | 249 | 41% helix, 27% strand | Q9HWC1 |
Ligands and binding sites
- PAU · Pantothenoic acid · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.76 | 0.85 | 54 | PAU |
| 2 | 387 | 0.75 | 0.86 | 53 | PAU, EDO, GOL |
Interfaces
1 interface between chains.
- A–B · 2269 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
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 Q9HWC1
- Elsewhere: RCSB PDB 2F9W · PDBe 2F9W · UniProt Q9HWC1
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