Research workbench
Structural flexibility of shank PDZ domain is important for its binding to different ligands
Analyse Structural flexibility of shank PDZ domain is important for its binding to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QJM
- Type
- protein
- Length
- 206 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SH3 and multiple ankyrin repeat domains protein 1; Beta-pix
- UniProt
- Q9WV48
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 14% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SH3 and multiple ankyrin repeat domains protein 1 | protein | 98 | 14% helix, 40% strand | Q9WV48 |
| B | SH3 and multiple ankyrin repeat domains protein 1 | protein | 98 | 14% helix, 44% strand | Q9WV48 |
| C, D | Beta-pix | protein | 5 | 0% helix, 60% strand | — |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.51 | 0.81 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 633 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 418 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 411 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3QJM · Structural flexibility of Shank PDZ domain is important for its binding to different… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9WV48 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 1… · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q9WV48
- Elsewhere: RCSB PDB 3QJM · PDBe 3QJM · UniProt Q9WV48
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