MolNFT v1 · #66007 · protein
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
3HDN · SERINE/THREONINE-protein kinase SGK1: “Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2”. X-ray diffraction, 1 ligand (GMG), 3 pockets (best druggability 0.69). MolNFT v1 #66007 on…
- PDB
- 3HDN
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase SGK1
- EC
- 2.7.11.1
- UniProt
- O00141
- Ligands
- GMG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase SGK1 (EC 2.7.11.1) | protein | 280 | 33% helix, 19% strand | O00141 |
Ligands and binding sites
- GMG · [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid · 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 | 309 | 0.69 | 0.83 | 34 | GMG |
| 2 | 241 | 0.56 | 0.78 | 39 | empty |
| 3 | 97 | 0.49 | 0.81 | 20 | empty |
Compared structures
- 3HDN · Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound… · the same entry in another collection · chain A against A, TM-score 1.00
- O00141 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase SGK1 (O00141) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 O00141
- Elsewhere: RCSB PDB 3HDN · PDBe 3HDN · UniProt O00141
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