MolNFT v1 · #134507 · protein
Crystal structure of TGCDPK1 from toxoplasma gondii complexed with 5GA
5T6A · Calmodulin-domain protein kinase 1: “Crystal structure of TGCDPK1 from toxoplasma gondii complexed with 5GA”. X-ray diffraction, 1 ligand (5GA), 3 pockets (best druggability 0.78). MolNFT v1 #134507 on GenesisL1: 3D structure…
- PDB
- 5T6A
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-domain protein kinase 1
- UniProt
- Q9BJF5
- Ligands
- 5GA
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-domain protein kinase 1 | protein | 431 | 53% helix, 13% strand | Q9BJF5 |
Ligands and binding sites
- 5GA · 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.78 | 0.80 | 115 | 5GA |
| 2 | 196 | 0.54 | 0.78 | 36 | empty |
| 3 | 53 | 0.44 | 0.84 | 15 | empty |
Compared structures
- 5T6A · Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with 5GA · 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 Q9BJF5
- Elsewhere: RCSB PDB 5T6A · PDBe 5T6A · UniProt Q9BJF5
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