UniProt Q9Y566
SH3 and multiple ankyrin repeat domains protein 1 (Q9Y566)
SH3 and multiple ankyrin repeat domains protein 1 (UniProt Q9Y566): 9 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 7 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9Y566
- Protein
- SH3 and multiple ankyrin repeat domains protein 1
- Experimental structures
- 9
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 7 · 3 records with a druggable one
Structures
10 records of Q9Y566 in the MolNFT archive: 9 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6CPI | Solution structure of SH3 domain from SHANK1 | solution nmr | A | — | — |
| 6YWZ | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | B, A | PWN | 1 (best 0.67) |
| 6YWZ | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | B, A | PWN | — |
| 6YX0 | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | A, B | PWQ | 1 (best 0.68) |
| 6YX0 | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | A, B | PWQ | — |
| 6YX1 | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | A, B | PWT | — |
| 6YX1 | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | A, B | PWT | — |
| 6YX2 | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | x-ray diffraction | A, B | PWW | — |
| 7A00 | Crystal structure of SHANK1 PDZ in complex with L6F mutant of the C- terminal hexapeptide from gkap | x-ray diffraction | A, B | ACE | — |
| Q9Y566 | AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 1 (Q9Y566) | predicted | A | — | 5 (best 0.64) |
Ligands
- PWN · 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene) methyl]benzoic acid · in 2 records
- PWQ · 4-[[2-(4-oxidanylidenebutanoyl) hydrazinyl]methyl]benzoic acid · in 2 records
- PWT · 2-[[2-(5-oxidanylidenepentanoyl) hydrazinyl]methyl]benzoic acid · in 2 records
- ACE · Acetyl group · in 1 record
- PWW · 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid · in 1 record
Experiment against prediction
- 6YX0 chain A against the predicted model Q9Y566: TM-score 0.94, RMSD 1.83 Å
- 6YX0 chain A against the predicted model Q9Y566: TM-score 0.94, RMSD 1.83 Å
- 6YX2 chain A against the predicted model Q9Y566: TM-score 0.93, RMSD 1.97 Å
- 6YX1 chain A against the predicted model Q9Y566: TM-score 0.91, RMSD 1.90 Å
- 6YX1 chain A against the predicted model Q9Y566: TM-score 0.91, RMSD 1.90 Å
- 7A00 chain B against the predicted model Q9Y566: TM-score 0.91, RMSD 2.05 Å
- 6YWZ chain A against the predicted model Q9Y566: TM-score 0.90, RMSD 2.07 Å
- 6YWZ chain A against the predicted model Q9Y566: TM-score 0.90, RMSD 2.07 Å
- 6YX2 chain B against the predicted model Q9Y566: TM-score 0.89, RMSD 2.26 Å
- 7A00 chain A against the predicted model Q9Y566: TM-score 0.89, RMSD 2.45 Å
Elsewhere
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