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Calcium ATPase-1 from listeria monocytogenes in complex with bef

Analyse Calcium ATPase-1 from listeria monocytogenes in complex with bef in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZHF
Type
protein
Length
880 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-transporting ATPase
UniProt
A0A1C7PY84
Ligands
BEF, MG
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium-transporting ATPaseprotein88046% helix, 13% strandA0A1C7PY84

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.800.9626empty
27630.780.8266empty
34880.670.7942empty
41250.660.8825empty
53380.650.8037empty

Compared structures

  • 6ZHF · Calcium ATPase-1 from Listeria monocytogenes in complex with BeF · the same entry in another collection · chain A against A, TM-score 1.00

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