MolNFT v1 · #78972 · protein
Inward rectifier potassium channel KIR2.2 R186A mutant in complex with PIP2
3SPG · Inward-rectifier K+ channel KIR2.2: “Inward rectifier potassium channel KIR2.2 R186A mutant in complex with PIP2”. X-ray diffraction, 2 ligands (PIO, K), 2 pockets (best druggability 0.34). MolNFT v1 #78972 on GenesisL1: 3D…
- PDB
- 3SPG
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inward-rectifier K+ channel KIR2.2
- UniProt
- D2YW45
- Ligands
- PIO, K
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inward-rectifier K+ channel KIR2.2 | protein | 332 | 35% helix, 28% strand | D2YW45 |
Ligands and binding sites
- PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · ligand · chains A
- K · Potassium ion · metal · 6 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.34 | 0.75 | 16 | empty |
| 2 | 68 | 0.32 | 0.75 | 23 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3SPG · Inward rectifier potassium channel Kir2.2 R186A mutant in complex with PIP2 · the same entry in another collection · chain A against A, 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
- Every structure of UniProt D2YW45
- Elsewhere: RCSB PDB 3SPG · PDBe 3SPG · UniProt D2YW45
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