MolNFT v1 · #44224 · protein
Trans form of a photoswitchable PDZ domain crosslinked with an azobenzene derivative
2M10 · Tyrosine-protein phosphatase non-receptor type 13: “Trans form of a photoswitchable PDZ domain crosslinked with an azobenzene derivative”. Solution nmr, 1 ligand (33B), 1 pocket (best druggability 0.60). MolNFT v1 #44224 on…
- PDB
- 2M10
- Type
- protein
- Length
- 97 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 13
- EC
- 3.1.3.48
- UniProt
- Q12923
- Ligands
- 33B
- Pockets
- 1 · best druggability 0.60
Structure
solution nmr · 1 distinct chain · 14% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 13 (EC 3.1.3.48) | protein | 97 | 14% helix, 31% strand | Q12923 |
Ligands and binding sites
- 33B · 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 53 | 0.60 | 0.92 | 21 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 2M10 · trans form of a photoswitchable PDZ domain crosslinked with an azobenzene derivative · the same entry in another collection · chain A against A, TM-score 1.00
- Q12923 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 13… · a predicted model of the same protein · chain A against A, TM-score 0.84
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 Q12923
- Elsewhere: RCSB PDB 2M10 · PDBe 2M10 · UniProt Q12923
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