Research workbench
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Analyse Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AU7
- Type
- protein
- Length
- 152 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Mesobuthus martensii
- Molecule
- Potassium channel toxin gamma-KTx 2.2
- UniProt
- P59938
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · resolution 1.9 · 1 distinct chain · 32% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Potassium channel toxin gamma-KTx 2.2 | protein | 38 | 32% helix, 37% strand | P59938 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, D, C
- GOL · Glycerol · additive · 2 copies · chains B, C, 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 | 144 | 0.55 | 0.81 | 16 | empty |
Interfaces
6 interfaces between chains.
- C–D · 410 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 391 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 367 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 358 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 19 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 6AU7 · Exploring cystine dense peptide space to open a unique molecular toolbox · the same entry in another collection · chain A against A, TM-score 1.00
- P59938 · AlphaFold monomer V2.0 prediction for potassium channel toxin gamma- ktx 2.2 (P59938) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P59938
- Elsewhere: RCSB PDB 6AU7 · PDBe 6AU7 · UniProt P59938
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