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
- 3QJN
- Type
- protein
- Length
- 824 residues
- Chains
- 16
- 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
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | SH3 and multiple ankyrin repeat domains protein 1 | protein | 98 | 13% helix, 38% strand | Q9WV48 |
| I, J, K, L, M, N, O, P | Beta-pix | protein | 5 | 0% helix, 60% strand | — |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 930 | 0.77 | 0.79 | 76 | empty |
| 2 | 402 | 0.75 | 0.85 | 66 | empty |
| 3 | 468 | 0.75 | 0.83 | 34 | empty |
| 4 | 99 | 0.73 | 0.94 | 25 | empty |
| 5 | 84 | 0.67 | 0.92 | 18 | empty |
Interfaces
17 interfaces between chains.
- G–H · 597 Ų buried · 7 hydrogen bonds · protein-protein
- E–F · 573 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 544 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 535 Ų buried · 6 hydrogen bonds · protein-protein
- H–P · 445 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3QJN · Structural flexibility of Shank PDZ domain is important for its binding to different… · the same entry in another collection · chain P against P, 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 Q9WV48
- Elsewhere: RCSB PDB 3QJN · PDBe 3QJN · UniProt Q9WV48
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