MolNFT v1 · #102955 · protein
Crystal structure of the bateman domain of murine magnesium transporter CNNM2 bound to ATP-mg
4P1O · Metal transporter CNNM2: “Crystal structure of the bateman domain of murine magnesium transporter CNNM2 bound to ATP-mg”. X-ray diffraction, 2 ligands (ATP, MG), 1 pocket (best druggability 0.69). MolNFT v1 #102955 on GenesisL1: 3D…
- PDB
- 4P1O
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metal transporter CNNM2
- UniProt
- Q3TWN3
- Ligands
- ATP, MG
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Metal transporter CNNM2 | protein | 152 | 38% helix, 26% strand | Q3TWN3 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.69 | 0.77 | 51 | MG, ATP |
Interfaces
1 interface between chains.
- A–B · 1386 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4P1O · Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- Q3TWN3 · AlphaFold monomer V2.0 prediction for metal transporter CNNM2 (Q3TWN3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q3TWN3
- Elsewhere: RCSB PDB 4P1O · PDBe 4P1O · UniProt Q3TWN3
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