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Crystal structure of PDE4D complexed with a novel inhibitor

Analyse Crystal structure of PDE4D complexed with a novel inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6IND
Type
protein
Length
643 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q08499
Ligands
AKO, MG, ZN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein325—Q08499
B—protein318—Q08499

Ligands and binding sites

  • AKO · (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 3 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, B

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

Compared structures

  • 6IND · Crystal structure of PDE4D complexed with a novel inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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