MolNFT v1 · #23465 · protein
M. loti cyclic nucleotide binding domain mutant
1U12: “M. loti cyclic nucleotide binding domain mutant”. X-ray diffraction, 3 ligands (K, IOD, SO4), 2 pockets (best druggability 0.44). MolNFT v1 #23465 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1U12
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic nucleotide binding domain
- UniProt
- Q98GN8
- Ligands
- K, IOD, SO4
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclic nucleotide binding domain | protein | 131 | 35% helix, 28% strand | Q98GN8 |
| B | Cyclic nucleotide binding domain | protein | 127 | 33% helix, 29% strand | Q98GN8 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B
- IOD · Iodide ion · ion · 31 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.44 | 0.78 | 20 | SO4, K |
| 2 | 71 | 0.39 | 0.79 | 15 | IOD |
Interfaces
1 interface between chains.
- A–B · 392 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1U12 · M. loti cyclic nucleotide binding domain mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q98GN8 · AlphaFold monomer V2.0 prediction for cyclic nucleotide-gated potassium channel MLL3241… · a predicted model of the same protein · chain A 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 Q98GN8
- Elsewhere: RCSB PDB 1U12 · PDBe 1U12 · UniProt Q98GN8
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