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The crystal structure of plant specific calcium binding protein ATCBL2 in complex with the regulatory domain of ATCIPK14

Analyse The crystal structure of plant specific calcium binding protein ATCBL2 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ZFD
Type
protein
Length
299 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcineurin B-like protein 2; Putative uncharacterized protein T20L15_90
UniProt
Q8LAS7, Q9LZW4
Ligands
CA
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcineurin B-like protein 2protein18364% helix, 3% strandQ8LAS7
BPutative uncharacterized protein T20L15_90protein11636% helix, 31% strandQ9LZW4

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains A
  • ACY · Acetic acid · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11990.520.7822empty
2700.340.7616empty
3760.310.7418empty

Interfaces

1 interface between chains.

  • A–B · 1640 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2ZFD · The crystal structure of plant specific calcium binding protein AtCBL2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8LAS7 · AlphaFold monomer V2.0 prediction for calcineurin B-like protein 2 (Q8LAS7) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9LZW4 · AlphaFold monomer V2.0 prediction for cbl-interacting SERINE/THREONINE-protein kinase 14… · a predicted model of the same protein · chain B against A, TM-score 0.84

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