MolNFT v1 · #122915 · protein
Co-crystal structure of the regulatory domain of toxoplasma gondii PKA with camp
5J3U · Protein kinase a: “Co-crystal structure of the regulatory domain of toxoplasma gondii PKA with camp”. X-ray diffraction, 1 ligand (CMP), 2 pockets (best druggability 0.59). MolNFT v1 #122915 on GenesisL1: 3D structure, binding sites…
- PDB
- 5J3U
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase a
- EC
- 2.7.11.12
- UniProt
- S8EY88
- Ligands
- CMP
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase a (EC 2.7.11.12) | protein | 261 | 34% helix, 34% strand | S8EY88 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.59 | 0.76 | 40 | CMP |
| 2 | 108 | 0.59 | 0.85 | 18 | CMP |
Compared structures
- 5J3U · Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP · 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 S8EY88
- Elsewhere: RCSB PDB 5J3U · PDBe 5J3U · UniProt S8EY88
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