MolNFT v1 · #52710 · protein
Structure of the tick ion-channel modulator ra-klp
2W8X · Ion-channel modulator raklp: “Structure of the tick ion-channel modulator ra-klp”. X-ray diffraction, 1 pocket (best druggability 0.79). MolNFT v1 #52710 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2W8X
- Type
- protein
- Length
- 138 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion-channel modulator raklp
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ion-channel modulator raklp | protein | 72 | 26% helix, 26% strand | — |
| B | Ion-channel modulator raklp | protein | 66 | 21% helix, 29% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, B
- ACT · Acetate ion · additive · chains B
- IMD · Imidazole · additive · chains B
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 | 174 | 0.79 | 0.95 | 28 | GOL |
Interfaces
1 interface between chains.
- A–B · 718 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2W8X · Structure of the tick ion-channel modulator Ra-KLP · the same entry in another collection · chain B against B, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 2W8X · PDBe 2W8X
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