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Crystal structure of calcium bound dimeric GCAMP2

Analyse Crystal structure of calcium bound dimeric GCAMP2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3EVU
Type
protein
Length
393 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myosin light chain kinase, green fluorescent protein, calmodulin-1 chimera
EC
2.7.11.18
UniProt
P11799, P42212, P0DP29
Ligands
CRO, CA
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyosin light chain kinase, green fluorescent protein, calmodulin-1 chimera (EC 2.7.11.18)protein39335% helix, 31% strandP11799, P42212, P0DP29

Ligands and binding sites

  • CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.720.8346CRO
25650.660.7537empty
3790.400.7821empty
4790.350.7617empty
5790.350.7516empty

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

  • 3EVU · Crystal structure of Calcium bound dimeric GCAMP2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain A against A, TM-score 0.37
  • P11799 · AlphaFold monomer V2.0 prediction for myosin light chain kinase, smooth muscle (P11799) · a predicted model of the same protein · chain A against A, TM-score 0.28
  • P0DP29 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP29) · a predicted model of the same protein · chain A against A, TM-score 0.20

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