MolNFT v1 · #151809 · protein
Regulatory subunit of a camp-independent protein kinase a from trypanosoma cruzi bound to guanosine
6HYQ · Protein kinase a regulatory subunit: “Regulatory subunit of a camp-independent protein kinase a from trypanosoma cruzi bound to guanosine”. X-ray diffraction, 1 ligand (GMP), 20 pockets (best druggability 0.80). MolNFT v1 #151809 on…
- PDB
- 6HYQ
- Type
- protein
- Length
- 1,124 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase a regulatory subunit
- UniProt
- Q86RB0
- Ligands
- GMP
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase a regulatory subunit | protein | 280 | 35% helix, 29% strand | Q86RB0 |
| B | Protein kinase a regulatory subunit | protein | 282 | 34% helix, 30% strand | Q86RB0 |
| C | Protein kinase a regulatory subunit | protein | 283 | 33% helix, 30% strand | Q86RB0 |
| D | Protein kinase a regulatory subunit | protein | 279 | 34% helix, 29% strand | Q86RB0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 877 | 0.80 | 0.82 | 73 | empty |
| 2 | 83 | 0.77 | 0.98 | 21 | GMP |
| 3 | 91 | 0.77 | 0.97 | 19 | GMP |
| 4 | 93 | 0.76 | 0.97 | 19 | GMP |
| 5 | 81 | 0.76 | 0.98 | 19 | GMP |
Interfaces
4 interfaces between chains.
- C–D · 739 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 673 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 196 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 135 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6HYQ · Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi bound to… · the same entry in another collection · chain D against D, 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 Q86RB0
- Elsewhere: RCSB PDB 6HYQ · PDBe 6HYQ · UniProt Q86RB0
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