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Solution structure of CA2+/CNA1 peptide-bound ycam

Analyse Solution structure of CA2+/CNA1 peptide-bound ycam in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2LHI
Type
protein
Length
176 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CALMODULIN,SERINE/THREONINE-protein phosphatase 2B catalytic subunit A1
UniProt
P06787, P23287
Ligands
CA
Pockets
1 · best druggability 0.44

Structure

solution nmr · 1 distinct chain · 53% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACALMODULIN,SERINE/THREONINE-protein phosphatase 2B catalytic subunit A1protein17653% helix, 2% strandP06787, P23287

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11340.440.7618empty

Compared structures

  • 2LHI · Solution structure of Ca2+/CNA1 peptide-bound yCaM · the same entry in another collection · chain A against A, TM-score 1.00
  • P06787 · AlphaFold monomer V2.0 prediction for calmodulin (P06787) · a predicted model of the same protein · chain A against A, TM-score 0.42
  • P23287 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2B catalytic… · a predicted model of the same protein · chain A against A, TM-score 0.31

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