MolNFT v1 · #94043 · protein
Calcium release-activated calcium (crac) channel orai, K163W mutant
4HKS · Calcium release-activated calcium channel protein 1: “Calcium release-activated calcium (crac) channel orai, K163W mutant”. X-ray diffraction, 2 ligands (CA, ZN), 4 pockets (best druggability 0.71). MolNFT v1 #94043 on GenesisL1: 3D…
- PDB
- 4HKS
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium release-activated calcium channel protein 1
- UniProt
- Q9U6B8
- Ligands
- CA, ZN
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium release-activated calcium channel protein 1 | protein | 165 | 90% helix, 0% strand | Q9U6B8 |
| B | Calcium release-activated calcium channel protein 1 | protein | 160 | 90% helix, 0% strand | Q9U6B8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 883 | 0.71 | 0.75 | 58 | empty |
| 2 | 86 | 0.48 | 0.82 | 14 | empty |
| 3 | 67 | 0.46 | 0.83 | 16 | empty |
| 4 | 61 | 0.39 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2144 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4HKS · Calcium release-activated calcium (CRAC) channel ORAI, K163W mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q9U6B8 · AlphaFold monomer V2.0 prediction for calcium release-activated calcium channel protein 1… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q9U6B8
- Elsewhere: RCSB PDB 4HKS · PDBe 4HKS · UniProt Q9U6B8
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