MolNFT v1 · #23581 · protein
Crystal structure of cytoplasmic domains of IRK1 (KIR2.1) channel
1U4F · Inward rectifier potassium channel 2: “Crystal structure of cytoplasmic domains of IRK1 (KIR2.1) channel”. X-ray diffraction, 9 pockets (best druggability 0.85). MolNFT v1 #23581 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1U4F
- Type
- protein
- Length
- 784 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inward rectifier potassium channel 2
- UniProt
- P35561
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inward rectifier potassium channel 2 | protein | 197 | 10% helix, 46% strand | P35561 |
| B, C | Inward rectifier potassium channel 2 | protein | 195 | 9% helix, 45% strand | P35561 |
| D | Inward rectifier potassium channel 2 | protein | 197 | 11% helix, 46% strand | P35561 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.85 | 0.87 | 57 | empty |
| 2 | 974 | 0.83 | 0.84 | 115 | empty |
| 3 | 993 | 0.82 | 0.83 | 122 | empty |
| 4 | 70 | 0.41 | 0.80 | 16 | empty |
| 5 | 84 | 0.40 | 0.78 | 20 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1587 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 1583 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 1570 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1554 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1U4F · Crystal Structure of Cytoplasmic Domains of IRK1 (Kir2.1) channel · the same entry in another collection · chain A against A, TM-score 1.00
- P35561 · AlphaFold monomer V2.0 prediction for inward rectifier potassium channel 2 (P35561) · a predicted model of the same protein · chain D against A, TM-score 0.89
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 P35561
- Elsewhere: RCSB PDB 1U4F · PDBe 1U4F · UniProt P35561
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