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Crystal structure of the cnmp binding domain of the magnesium transporter CNNM4

Analyse Crystal structure of the cnmp binding domain of the magnesium transporter CNNM4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
IMetal transporter CNNM4protein13726% helix, 26% strandQ6P4Q7
BMetal transporter CNNM4protein15029% helix, 24% strandQ6P4Q7
CMetal transporter CNNM4protein13628% helix, 25% strandQ6P4Q7
DMetal transporter CNNM4protein13627% helix, 25% strandQ6P4Q7
E, AMetal transporter CNNM4protein13825% helix, 25% strandQ6P4Q7
FMetal transporter CNNM4protein13630% helix, 25% strandQ6P4Q7
GMetal transporter CNNM4protein13925% helix, 28% strandQ6P4Q7
HMetal transporter CNNM4protein13928% helix, 28% strandQ6P4Q7

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16620.770.8285empty
27210.730.7975empty
35800.690.7891empty
42840.650.8252empty
51520.510.7919empty

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

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