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Crystal structure of PVX_084705 bound to compound
Analyse Crystal structure of PVX_084705 bound to compound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5EZR
- Type
- protein
- Length
- 803 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase, putative
- UniProt
- A5K0N4
- Ligands
- 4ZS, CL
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgmp-dependent protein kinase, putative | protein | 803 | 35% helix, 25% strand | A5K0N4 |
Ligands and binding sites
- 4ZS · N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 861 | 0.74 | 0.78 | 65 | empty |
| 2 | 481 | 0.71 | 0.81 | 51 | 4ZS |
| 3 | 165 | 0.64 | 0.85 | 20 | empty |
| 4 | 228 | 0.57 | 0.78 | 35 | empty |
| 5 | 213 | 0.50 | 0.75 | 16 | 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 A5K0N4
- Elsewhere: RCSB PDB 5EZR · PDBe 5EZR · UniProt A5K0N4
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