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Structure of the (SR)CA2+-ATPase CA2-E1-caamppcp form

Analyse Structure of the (SR)CA2+-ATPase CA2-E1-caamppcp form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3N8G
Type
protein
Length
994 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform serca 1A
EC
3.6.3.8
UniProt
B6CAM1
Ligands
ACP, CA, K
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform serca 1A (EC 3.6.3.8)protein99446% helix, 16% strandB6CAM1

Ligands and binding sites

  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
  • CA · Calcium ion · metal · 3 copies · chains A
  • K · Potassium ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19260.850.87104CA, ACP
23450.740.8647empty
33290.690.8339empty
45040.670.7850empty
53220.600.7832empty

Compared structures

  • 3N8G · Structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form · the same entry in another collection · chain A against A, TM-score 1.00

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