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Crystal structure of calaxin with calcium

Analyse Crystal structure of calaxin with calcium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5X9A
Type
protein
Length
386 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.85
Source
Ciona intestinalis
Molecule
Calaxin
UniProt
Q8T893
Ligands
CA
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · resolution 1.85 · 2 distinct chains · 67% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalaxinprotein18867% helix, 5% strandQ8T893
BCalaxinprotein19866% helix, 5% strandQ8T893

Ligands and binding sites

  • CA · Calcium ion · metal · 7 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14630.680.7950empty
23660.680.8144empty
31090.460.7918empty
4790.390.7815empty

Interfaces

1 interface between chains.

  • A–B · 955 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5X9A · Crystal structure of calaxin with calcium · the same entry in another collection · chain A against A, TM-score 1.00

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