MolNFT v1 · #22535 · protein
Solution structure of the wiskott-aldrich syndrome protein (wasp) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor
1T84: “Solution structure of the wiskott-aldrich syndrome protein (wasp) autoinhibited core domain complexed with…”. Solution nmr, 1 ligand (WSK), 2 pockets (best druggability 0.51). MolNFT v1 #22535 on GenesisL1: 3D structure, binding…
- PDB
- 1T84
- Type
- protein
- Length
- 107 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Wiskott-aldrich syndrome protein
- UniProt
- P42768
- Ligands
- WSK
- Pockets
- 2 · best druggability 0.51
Structure
solution nmr · 1 distinct chain · 47% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Wiskott-aldrich syndrome protein | protein | 107 | 47% helix, 0% strand | P42768 |
Ligands and binding sites
- WSK · (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.51 | 0.79 | 23 | WSK |
| 2 | 70 | 0.39 | 0.79 | 18 | empty |
Compared structures
- 1T84 · Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core… · the same entry in another collection · chain A against A, TM-score 1.00
- P42768 · AlphaFold monomer V2.0 prediction for wiskott-aldrich syndrome protein (P42768) · a predicted model of the same protein · chain A against A, TM-score 0.66
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 P42768
- Elsewhere: RCSB PDB 1T84 · PDBe 1T84 · UniProt P42768
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