MolNFT v1 · #145621 · protein
Crystal structure of pathogenesis-related protein 1G (pr-1G) kinase domain from cacao
6CTH · Concanavalin a-like lectin protein kinase family protein: “Crystal structure of pathogenesis-related protein 1G (pr-1G) kinase domain from cacao”. X-ray diffraction, 2 ligands (FE7, MG), 3 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 6CTH
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Concanavalin a-like lectin protein kinase family protein
- UniProt
- A0A061FLD4
- Ligands
- FE7, MG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Concanavalin a-like lectin protein kinase family protein | protein | 295 | 40% helix, 18% strand | A0A061FLD4 |
Ligands and binding sites
- FE7 · N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl) methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.69 | 0.84 | 31 | FE7 |
| 2 | 78 | 0.35 | 0.75 | 19 | empty |
| 3 | 69 | 0.33 | 0.76 | 19 | empty |
Compared structures
- 6CTH · Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao · 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 A0A061FLD4
- Elsewhere: RCSB PDB 6CTH · PDBe 6CTH · UniProt A0A061FLD4
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