MolNFT v1 · #189592 · protein
Structure of SUR2B in complex with mg-ATP/ADP and levcromakalim
7VLT · Isoform SUR2B of ATP-binding cassette sub-family C member 9: “Structure of SUR2B in complex with mg-ATP/ADP and levcromakalim”. Electron microscopy, 5 ligands (ETJ, Y01, ADP), 19 pockets (best druggability 0.86). MolNFT v1 #189592…
- PDB
- 7VLT
- Type
- protein
- Length
- 1,145 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform SUR2B of ATP-binding cassette sub-family C member 9
- UniProt
- Q63563
- Ligands
- ETJ, Y01, ADP, ATP, MG
- Pockets
- 19 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 65% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform SUR2B of ATP-binding cassette sub-family C member 9 | protein | 1145 | 65% helix, 11% strand | Q63563 |
Ligands and binding sites
- ETJ · (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile · ligand · chains A
- Y01 · Cholesterol hemisuccinate · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.86 | 0.90 | 100 | MG, ATP |
| 2 | 622 | 0.85 | 0.90 | 61 | empty |
| 3 | 216 | 0.83 | 0.96 | 30 | ETJ |
| 4 | 146 | 0.80 | 0.97 | 29 | empty |
| 5 | 83 | 0.73 | 0.96 | 23 | empty |
Compared structures
- 7VLT · Structure of SUR2B in complex with Mg-ATP/ADP and levcromakalim · the same entry in another collection · chain A against A, 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 A 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 Q63563
- Elsewhere: RCSB PDB 7VLT · PDBe 7VLT · UniProt Q63563
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