MolNFT v1 · #76399 · protein
Structural flexibility of shank PDZ domain is important for its binding to different ligands
3QJM · SH3 and multiple ankyrin repeat domains protein 1: “Structural flexibility of shank PDZ domain is important for its binding to different ligands”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1 #76399 on GenesisL1…
- 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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