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MolNFT v1 · #170526 · protein

Structure of the (sr) CA2+-ATPase bound to the inhibitor compound CAD204520 and tnp-ATP

6YAA: “Structure of the (sr) CA2+-ATPase bound to the inhibitor compound CAD204520 and tnp-ATP”. X-ray diffraction, 3 ligands (128, OHW, K). MolNFT v1 #170526 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YAA
Type
protein
Length
994 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P04191
Ligands
128, OHW, K

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein994—P04191

Ligands and binding sites

  • 128 · Spiro(2,4,6-trinitrobenzene[1,2a]-2O',3O'-methylene-adenine-triphosphate · ligand · chains A
  • OHW · 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine · ligand · chains A
  • K · Potassium ion · metal · chains A

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

Compared structures

  • 6YAA · Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP · the same entry in another collection · chain A against A, TM-score 1.00
  • P04191 · AlphaFold monomer V2.0 prediction for SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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