MolNFT v1 · #9895 · protein
Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (ADP-mg complex)
1IAH · Transient receptor potential-related protein: “Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (ADP-mg complex)”. X-ray diffraction, 3 ligands (ADP, ZN, MG), 7 pockets (best druggability 0.60).…
- PDB
- 1IAH
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transient receptor potential-related protein
- EC
- 2.7.1.37
- UniProt
- Q923J1
- Ligands
- ADP, ZN, MG
- Pockets
- 7 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transient receptor potential-related protein (EC 2.7.1.37) | protein | 276 | 30% helix, 27% strand | Q923J1 |
| B | Transient receptor potential-related protein (EC 2.7.1.37) | protein | 280 | 29% helix, 25% strand | Q923J1 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.60 | 0.80 | 34 | ADP |
| 2 | 218 | 0.59 | 0.80 | 30 | MG, ADP |
| 3 | 260 | 0.56 | 0.77 | 34 | DTT |
| 4 | 50 | 0.34 | 0.78 | 14 | empty |
| 5 | 64 | 0.34 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2792 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1IAH · Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (ADP-mg… · the same entry in another collection · chain A against A, TM-score 1.00
- Q923J1 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain A against A, TM-score 0.86
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 Q923J1
- Elsewhere: RCSB PDB 1IAH · PDBe 1IAH · UniProt Q923J1
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