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MolNFT v1 · #56438 · protein

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

2ZFD · Calcineurin B-like protein 2: “The crystal structure of plant specific calcium binding protein ATCBL2 in complex with the regulatory domain…”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.52). MolNFT v1 #56438 on…

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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