MolNFT v1 · #105424 · protein
Crystal structure of C42L cgmp dependent protein kinase I alpha (pkgi alpha) leucine zipper
4R4M · Cgmp-dependent protein kinase 1: “Crystal structure of C42L cgmp dependent protein kinase I alpha (pkgi alpha) leucine zipper”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.33). MolNFT v1 #105424 on GenesisL1: 3D…
- PDB
- 4R4M
- Type
- protein
- Length
- 143 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase 1
- UniProt
- Q13976
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cgmp-dependent protein kinase 1 | protein | 47 | 89% helix, 0% strand | Q13976 |
| C | Cgmp-dependent protein kinase 1 | protein | 49 | 90% helix, 0% strand | Q13976 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.33 | 0.73 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1325 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 761 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 62 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4R4M · Crystal structure of C42L cGMP dependent protein kinase I alpha (PKGI alpha) leucine… · the same entry in another collection · chain A against A, TM-score 1.00
- Q13976 · AlphaFold monomer V2.0 prediction for cgmp-dependent protein kinase 1 (Q13976) · a predicted model of the same protein · chain C against A, TM-score 0.91
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 Q13976
- Elsewhere: RCSB PDB 4R4M · PDBe 4R4M · UniProt Q13976
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