MolNFT v1 · #143843 · protein
The crac channel orai in an unlatched-closed conformation; K163W loss- of-function mutation; P42212 crystal form
6BBI · Calcium release-activated calcium channel protein 1: “The crac channel orai in an unlatched-closed conformation; K163W loss- of-function mutation; P42212 crystal…”. X-ray diffraction, 6 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 6BBI
- Type
- protein
- Length
- 442 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium release-activated calcium channel protein 1
- UniProt
- Q9U6B8
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Calcium release-activated calcium channel protein 1 | protein | 152 | 90% helix, 0% strand | Q9U6B8 |
| B | Calcium release-activated calcium channel protein 1 | protein | 138 | 89% helix, 0% strand | Q9U6B8 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.68 | 0.79 | 44 | empty |
| 2 | 237 | 0.59 | 0.79 | 24 | empty |
| 3 | 184 | 0.58 | 0.81 | 24 | empty |
| 4 | 107 | 0.48 | 0.80 | 22 | empty |
| 5 | 76 | 0.37 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1901 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 1890 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 47 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6BBI · The CRAC channel Orai in an unlatched-closed conformation; K163W loss-of-function… · 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 B against A, TM-score 0.77
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 6BBI · PDBe 6BBI · UniProt Q9U6B8
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