MolNFT v1 · #182166 · protein
Vascular katp channel: KIR6.1 SUR2B propeller-like conformation 1
7MIT · ATP-sensitive inward rectifier potassium channel 8: “Vascular katp channel: KIR6.1 SUR2B propeller-like conformation 1”. Electron microscopy, 7 ligands (POV, PTY, P5S), 20 pockets (best druggability 0.87). MolNFT v1 #182166 on…
- PDB
- 7MIT
- Type
- protein
- Length
- 2,812 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-sensitive inward rectifier potassium channel 8; Isoform SUR2B of ATP-binding cassette…
- UniProt
- Q63664, Q63563
- Ligands
- POV, PTY, P5S, ATP, GBM, NAG, K
- Pockets
- 20 · best druggability 0.87
Structure
electron microscopy · 4 distinct chains · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-sensitive inward rectifier potassium channel 8 | protein | 364 | 29% helix, 23% strand | Q63664 |
| B, D | ATP-sensitive inward rectifier potassium channel 8 | protein | 337 | 32% helix, 26% strand | Q63664 |
| C | ATP-sensitive inward rectifier potassium channel 8 | protein | 336 | 30% helix, 21% strand | Q63664 |
| E | Isoform SUR2B of ATP-binding cassette sub-family C member 9 | protein | 1438 | 60% helix, 3% strand | Q63563 |
Ligands and binding sites
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 8 copies · chains A, E, B, C, D
- PTY · Phosphatidylethanolamine · ligand · 8 copies · chains A, E
- P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine · ligand · 6 copies · chains A, D, B, E, C
- ATP · Adenosine-5'-triphosphate · ligand · 5 copies · chains A, D, B, C, E
- GBM · 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl) sulfamoyl]phenyl}ethyl)-2-methoxybenzamide · ligand · chains A, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains E
- K · Potassium ion · metal · 4 copies · chains A, B, C, D
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 | 650 | 0.87 | 0.91 | 72 | empty |
| 2 | 538 | 0.85 | 0.91 | 61 | GBM |
| 3 | 527 | 0.83 | 0.89 | 53 | empty |
| 4 | 950 | 0.83 | 0.84 | 109 | empty |
| 5 | 743 | 0.82 | 0.85 | 90 | empty |
Interfaces
8 interfaces between chains.
- A–B · 3018 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 2963 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2931 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 2917 Ų buried · 20 hydrogen bonds · protein-protein
- A–E · 2754 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7MIT · Vascular KATP channel: Kir6.1 SUR2B propeller-like conformation 1 · the same entry in another collection · chain E against E, TM-score 1.00
- Q63563 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family C member 9 (Q63563) · a predicted model of the same protein · chain E against A, TM-score 0.96
- Q63664 · AlphaFold monomer V2.0 prediction for ATP-sensitive inward rectifier potassium channel 8… · a predicted model of the same protein · chain B against A, TM-score 0.83
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 Q63664
- Every structure of UniProt Q63563
- Elsewhere: RCSB PDB 7MIT · PDBe 7MIT · UniProt Q63664 · UniProt Q63563
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