Research workbench
Structure of BSK8 in complex with AMP-pnp
Analyse Structure of BSK8 in complex with AMP-pnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I94
- Type
- protein
- Length
- 594 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable SERINE/THREONINE-protein kinase AT5G41260
- EC
- 2.7.11.1
- UniProt
- Q9FHD7
- Ligands
- ANP, MG
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable SERINE/THREONINE-protein kinase AT5G41260 (EC 2.7.11.1) | protein | 297 | 46% helix, 13% strand | Q9FHD7 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
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 | 1095 | 0.81 | 0.82 | 112 | ANP, MG |
| 2 | 484 | 0.73 | 0.82 | 51 | ANP, MG |
| 3 | 116 | 0.48 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 415 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
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 Q9FHD7
- Elsewhere: RCSB PDB 4I94 · PDBe 4I94 · UniProt Q9FHD7
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