Research workbench
Structure of human potassium chloride transporter KCC1 in nacl (reference MAP)
Analyse Structure of human potassium chloride transporter KCC1 in nacl (reference MAP) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AIP
- Type
- protein
- Length
- 1,734 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, MG
- Pockets
- 20 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Solute carrier family 12 member 4 | protein | 867 | 54% 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 · 8 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 594 | 0.75 | 0.82 | 46 | empty |
| 2 | 545 | 0.75 | 0.82 | 58 | empty |
| 3 | 514 | 0.74 | 0.82 | 62 | empty |
| 4 | 555 | 0.72 | 0.80 | 43 | empty |
| 5 | 364 | 0.72 | 0.83 | 32 | ATP, MG |
Interfaces
1 interface between chains.
- A–B · 3498 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 4 glycan, 4 modified (disulfide, N-glycosylation, phosphorylation).
Compared structures
- 7AIP · Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) · 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 A against A, TM-score 0.96
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 7AIP · PDBe 7AIP · UniProt Q9UP95
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