MolNFT v1 · #9888 · protein
Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (amppnp complex)
1IA9 · Transient receptor potential-related protein: “Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (amppnp complex)”. X-ray diffraction, 2 ligands (ANP, ZN), 7 pockets (best druggability 0.62). MolNFT…
- PDB
- 1IA9
- 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
- ANP, ZN
- Pockets
- 7 · best druggability 0.62
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 | 30% helix, 26% strand | Q923J1 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, 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 | 246 | 0.62 | 0.81 | 33 | ANP |
| 2 | 233 | 0.57 | 0.79 | 32 | ANP |
| 3 | 301 | 0.57 | 0.76 | 33 | DTT |
| 4 | 53 | 0.31 | 0.76 | 15 | empty |
| 5 | 54 | 0.30 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2796 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1IA9 · Crystal structure of the atypical protein kinase domain of a TRP ca-channel, chak (amppnp… · 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 1IA9 · PDBe 1IA9 · UniProt Q923J1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.