MolNFT v1 · #150796 · protein
Regulatory subunit of a camp-independent protein kinase a from trypanosoma brucei: E311A, T318R, V319A mutant bound to camp in the a site
6H4G · Protein kinase a regulatory subunit: “Regulatory subunit of a camp-independent protein kinase a from trypanosoma brucei: E311A, T318R, V319A mutant…”. X-ray diffraction, 2 ligands (CMP, NOS), 6 pockets (best druggability 0.77).…
- PDB
- 6H4G
- Type
- protein
- Length
- 546 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase a regulatory subunit
- UniProt
- Q385V6
- Ligands
- CMP, NOS
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase a regulatory subunit | protein | 274 | 34% helix, 31% strand | Q385V6 |
| B | Protein kinase a regulatory subunit | protein | 272 | 36% helix, 31% strand | Q385V6 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
- NOS · Inosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.77 | 0.97 | 21 | NOS |
| 2 | 82 | 0.76 | 0.98 | 20 | NOS |
| 3 | 997 | 0.75 | 0.77 | 117 | CMP |
| 4 | 145 | 0.60 | 0.84 | 24 | CMP |
| 5 | 71 | 0.38 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 679 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6H4G · Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei: E311A… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q385V6
- Elsewhere: RCSB PDB 6H4G · PDBe 6H4G · UniProt Q385V6
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