Research workbench
Crystal structure of peptide inhibitor-free gsk-3/AXIN complex
Analyse Crystal structure of peptide inhibitor-free gsk-3/AXIN complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NM0
- Type
- protein
- Length
- 377 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen synthase kinase-3 beta; Axin-1
- EC
- 2.7.11.26, 2.7.11.1
- UniProt
- P49841, O15169
- Ligands
- ADP, MG, CL
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen synthase kinase-3 beta (EC 2.7.11.26, 2.7.11.1) | protein | 356 | 33% helix, 21% strand | P49841 |
| B | Axin-1 | protein | 21 | 67% helix, 0% strand | O15169 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 219 | 0.59 | 0.80 | 25 | MG, ADP |
| 2 | 61 | 0.43 | 0.82 | 22 | empty |
| 3 | 100 | 0.40 | 0.76 | 26 | empty |
| 4 | 53 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 740 Ų buried · 1 hydrogen bond · 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 P49841
- Every structure of UniProt O15169
- Elsewhere: RCSB PDB 4NM0 · PDBe 4NM0 · UniProt P49841 · UniProt O15169
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