MolNFT v1 · #106442 · protein
Crystal structure of PVX_084705 with bound PCI32765
4RZ7 · Cgmp-dependent protein kinase, putative: “Crystal structure of PVX_084705 with bound PCI32765”. X-ray diffraction, 2 ligands (1E8, UNX), 10 pockets (best druggability 0.74). MolNFT v1 #106442 on GenesisL1: 3D structure, binding…
- PDB
- 4RZ7
- Type
- protein
- Length
- 801 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase, putative
- UniProt
- A5K0N4
- Ligands
- 1E8, UNX
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgmp-dependent protein kinase, putative | protein | 801 | 34% helix, 26% strand | A5K0N4 |
Ligands and binding sites
- 1E8 · 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one · ligand · chains A
- UNX · Unknown atom or ion · ion · 66 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.74 | 0.78 | 78 | empty |
| 2 | 285 | 0.66 | 0.82 | 29 | 1E8 |
| 3 | 159 | 0.65 | 0.86 | 19 | empty |
| 4 | 219 | 0.50 | 0.75 | 16 | UNX |
| 5 | 132 | 0.46 | 0.78 | 24 | 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 4RZ7 · PDBe 4RZ7 · UniProt A5K0N4
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