MolNFT v1 · #13939 · protein
Ktn MJA218 crystal structure in complex with NAD+
1LSS · Trk system potassium uptake protein trka homolog: “Ktn MJA218 crystal structure in complex with NAD+”. X-ray diffraction, 1 ligand (NAD), 4 pockets (best druggability 0.36). MolNFT v1 #13939 on GenesisL1: 3D structure, binding sites…
- PDB
- 1LSS
- Type
- protein
- Length
- 528 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trk system potassium uptake protein trka homolog
- UniProt
- Q58505
- Ligands
- NAD
- Pockets
- 4 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Trk system potassium uptake protein trka homolog | protein | 132 | 46% helix, 20% strand | Q58505 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.36 | 0.77 | 21 | NAD |
| 2 | 71 | 0.34 | 0.76 | 20 | NAD |
| 3 | 76 | 0.33 | 0.75 | 19 | NAD |
| 4 | 71 | 0.31 | 0.74 | 21 | NAD |
Interfaces
3 interfaces between chains.
- A–B · 1374 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 1338 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 859 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1LSS · KTN Mja218 CRYSTAL STRUCTURE IN COMPLEX WITH NAD+ · the same entry in another collection · chain A against A, TM-score 1.00
- Q58505 · AlphaFold monomer V2.0 prediction for trk system potassium uptake protein trka homolog… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q58505
- Elsewhere: RCSB PDB 1LSS · PDBe 1LSS · UniProt Q58505
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