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MolNFT v2 · #153488 · protein

Crystal structure of PDE10 in complex with inhibitor 2b

6IJI: “Crystal structure of PDE10 in complex with inhibitor 2b”. X-ray diffraction at 2.7, 3 ligands (AEL, ZN, MG). MolNFT v2 #153488 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6IJI
Type
protein
Length
636 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.7
Source
Homo sapiens
UniProt
Q9Y233
Ligands
AEL, ZN, MG

Structure

x-ray diffraction · resolution 2.7 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein324—Q9Y233
B—protein312—Q9Y233

Ligands and binding sites

  • AEL · 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione · ligand · chains B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Compared structures

  • 6IJI · Crystal structure of PDE10 in complex with inhibitor 2B · the same entry in another collection · chain A against A, TM-score 1.00

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