MolNFT v1 · #181941 · protein
Crystal structure of cgmp dependent protein kinase I alpha (pkg I ALPHA)CNB-a domain with R177Q mutation
7MBJ · Cgmp-dependent protein kinase 1: “Crystal structure of cgmp dependent protein kinase I alpha (pkg I ALPHA)CNB-a domain with R177Q mutation”. X-ray diffraction, 4 pockets (best druggability 0.46). MolNFT v1 #181941 on GenesisL1: 3D…
- PDB
- 7MBJ
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase 1
- EC
- 2.7.11.12
- UniProt
- Q13976
- Pockets
- 4 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgmp-dependent protein kinase 1 (EC 2.7.11.12) | protein | 124 | 28% helix, 34% strand | Q13976 |
| B | Cgmp-dependent protein kinase 1 (EC 2.7.11.12) | protein | 124 | 31% helix, 34% strand | Q13976 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.46 | 0.79 | 18 | empty |
| 2 | 132 | 0.42 | 0.76 | 30 | empty |
| 3 | 138 | 0.42 | 0.75 | 24 | empty |
| 4 | 100 | 0.41 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 689 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7MBJ · Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with… · 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 A against A, TM-score 0.97
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 7MBJ · PDBe 7MBJ · UniProt Q13976
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