MolNFT v1 · #149595 · protein
Crystal structure of the cnmp binding domain of the magnesium transporter CNNM4
6G52 · Metal transporter CNNM4: “Crystal structure of the cnmp binding domain of the magnesium transporter CNNM4”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #149595 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6G52
- Type
- protein
- Length
- 1,249 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metal transporter CNNM4
- UniProt
- Q6P4Q7
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 8 distinct chains · 27% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | Metal transporter CNNM4 | protein | 137 | 26% helix, 26% strand | Q6P4Q7 |
| B | Metal transporter CNNM4 | protein | 150 | 29% helix, 24% strand | Q6P4Q7 |
| C | Metal transporter CNNM4 | protein | 136 | 28% helix, 25% strand | Q6P4Q7 |
| D | Metal transporter CNNM4 | protein | 136 | 27% helix, 25% strand | Q6P4Q7 |
| E, A | Metal transporter CNNM4 | protein | 138 | 25% helix, 25% strand | Q6P4Q7 |
| F | Metal transporter CNNM4 | protein | 136 | 30% helix, 25% strand | Q6P4Q7 |
| G | Metal transporter CNNM4 | protein | 139 | 25% helix, 28% strand | Q6P4Q7 |
| H | Metal transporter CNNM4 | protein | 139 | 28% helix, 28% strand | Q6P4Q7 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 662 | 0.77 | 0.82 | 85 | empty |
| 2 | 721 | 0.73 | 0.79 | 75 | empty |
| 3 | 580 | 0.69 | 0.78 | 91 | empty |
| 4 | 284 | 0.65 | 0.82 | 52 | empty |
| 5 | 152 | 0.51 | 0.79 | 19 | empty |
Interfaces
16 interfaces between chains.
- B–A · 642 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 608 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 561 Ų buried · 1 hydrogen bond · protein-protein
- C–A · 522 Ų buried · 3 hydrogen bonds · protein-protein
- B–G · 477 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 33 modified (engineered).
Compared structures
- 6G52 · Crystal structure of the cnmp binding domain of the magnesium transporter CNNM4 · the same entry in another collection · chain C against C, TM-score 1.00
- Q6P4Q7 · AlphaFold monomer V2.0 prediction for metal transporter CNNM4 (Q6P4Q7) · a predicted model of the same protein · chain D 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 Q6P4Q7
- Elsewhere: RCSB PDB 6G52 · PDBe 6G52 · UniProt Q6P4Q7
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