MolNFT v1 · #172931 · protein
Structure of human potassium chloride transporter KCC1 in nacl (subclass 2)
7AIR · Solute carrier family 12 member 4: “Structure of human potassium chloride transporter KCC1 in nacl (subclass 2)”. Electron microscopy, 3 ligands (ATP, NAG, BMA), 20 pockets (best druggability 0.78). MolNFT v1 #172931 on GenesisL1…
- PDB
- 7AIR
- Type
- protein
- Length
- 1,751 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Solute carrier family 12 member 4
- UniProt
- Q9UP95
- Ligands
- ATP, NAG, BMA
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 2 distinct chains · 55% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Solute carrier family 12 member 4 | protein | 885 | 55% helix, 9% strand | Q9UP95 |
| B | Solute carrier family 12 member 4 | protein | 866 | 55% helix, 9% strand | Q9UP95 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1104 | 0.78 | 0.80 | 107 | empty |
| 2 | 608 | 0.74 | 0.81 | 46 | empty |
| 3 | 548 | 0.74 | 0.81 | 54 | empty |
| 4 | 503 | 0.74 | 0.82 | 47 | empty |
| 5 | 593 | 0.73 | 0.81 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 3431 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 4 glycan, 1 modified (disulfide, N-glycosylation, phosphorylation).
Compared structures
- 7AIR · Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UP95 · AlphaFold monomer V2.0 prediction for solute carrier family 12 member 4 (Q9UP95) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q9UP95
- Elsewhere: RCSB PDB 7AIR · PDBe 7AIR · UniProt Q9UP95
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