Research workbench
Crystal structure of TGCDPK1 from toxoplasma gondii complexed with 5GB
Analyse Crystal structure of TGCDPK1 from toxoplasma gondii complexed with 5GB in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5T6I
- Type
- protein
- Length
- 427 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-domain protein kinase 1
- UniProt
- Q9BJF5
- Ligands
- 5GB
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-domain protein kinase 1 | protein | 427 | 52% helix, 12% strand | Q9BJF5 |
Ligands and binding sites
- 5GB · 4-(3-methylphenyl)-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 | 700 | 0.77 | 0.82 | 85 | 5GB |
| 2 | 221 | 0.60 | 0.81 | 25 | empty |
| 3 | 52 | 0.27 | 0.74 | 13 | empty |
Compared structures
- 5T6I · Crystal structure of TGCDPK1 from toxoplasma gondii complexed with 5GB · 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 5T6I · PDBe 5T6I · UniProt Q9BJF5
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