MolNFT v1 · #187227 · protein
Human katp channel in open conformation, focused on kir and one sur, position 2
7S5Y · ATP-sensitive inward rectifier potassium channel 11: “Human katp channel in open conformation, focused on kir and one sur, position 2”. Electron microscopy, 3 ligands (ADP, ATP, MG), 20 pockets (best druggability 0.88). MolNFT v1…
- PDB
- 7S5Y
- Type
- protein
- Length
- 2,686 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-sensitive inward rectifier potassium channel 11; ATP-binding cassette sub-family C…
- UniProt
- B2RC52, Q09428
- Ligands
- ADP, ATP, MG
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 2 distinct chains · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | ATP-sensitive inward rectifier potassium channel 11 | protein | 321 | 26% helix, 25% strand | B2RC52 |
| E | ATP-binding cassette sub-family C member 8 | protein | 1402 | 58% helix, 7% strand | Q09428 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains E
- ATP · Adenosine-5'-triphosphate · ligand · chains E
- MG · Magnesium ion · metal · 2 copies · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.88 | 0.90 | 99 | empty |
| 2 | 716 | 0.87 | 0.90 | 89 | empty |
| 3 | 661 | 0.85 | 0.89 | 96 | MG, ATP |
| 4 | 224 | 0.83 | 0.96 | 40 | empty |
| 5 | 132 | 0.79 | 0.97 | 37 | empty |
Interfaces
8 interfaces between chains.
- A–D · 3409 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 3406 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 3384 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 3379 Ų buried · 27 hydrogen bonds · protein-protein
- B–E · 1628 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7S5Y · Human KATP channel in open conformation, focused on Kir and one SUR, position 2 · the same entry in another collection · chain A against A, TM-score 1.00
- Q09428 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family C member 8 (Q09428) · a predicted model of the same protein · chain E against A, TM-score 0.87
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 B2RC52
- Every structure of UniProt Q09428
- Elsewhere: RCSB PDB 7S5Y · PDBe 7S5Y · UniProt B2RC52 · UniProt Q09428
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