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The crystal structure of arabidopsis thaliana CAR4 in complex with two calcium ions and zn

Analyse The crystal structure of arabidopsis thaliana CAR4 in complex with two calcium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A4X
Type
protein
Length
321 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AT3G17980
UniProt
Q9LVH4
Ligands
CA, ZN
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAT3G17980protein1584% helix, 51% strandQ9LVH4
BAT3G17980protein1634% helix, 51% strandQ9LVH4

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • ZN · Zinc ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12750.570.7834empty
22750.560.7732empty

Interfaces

1 interface between chains.

  • A–B · 597 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5A4X · The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and Zn · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9LVH4 · AlphaFold monomer V2.0 prediction for protein C2-domain aba-related 4 (Q9LVH4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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