MolNFT v1 · #117235 · protein
The second PDZ domain of ligand of numb protein X 2 in the presence of an electric field of ~1 MV/CM along the crystallographic X axis, with eightfold extrapolation of structure factor differences.
5E22: “The second PDZ domain of ligand of numb protein X 2 in the presence of an electric field of ~1 MV/CM along…”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #117235 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5E22
- Type
- protein
- Length
- 190 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ligand of numb protein X 2
- UniProt
- Q8N448
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Ligand of numb protein X 2 | protein | 95 | 15% helix, 37% strand | Q8N448 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.42 | 0.78 | 22 | empty |
| 2 | 72 | 0.37 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 207 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5E22 · The second PDZ domain of Ligand of Numb protein X 2 in the presence of an electric field… · the same entry in another collection · chain B against B, TM-score 1.00
- Q8N448 · AlphaFold monomer V2.0 prediction for ligand of numb protein X 2 (Q8N448) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q8N448
- Elsewhere: RCSB PDB 5E22 · PDBe 5E22 · UniProt Q8N448
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