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MolNFT v1 · #173587 · protein + DNA

Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene quinuclidinone (mq). human wild-type P53DBD bound to DNA and mq: wt-DNA-mq (III)

7B4H: “Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene quinuclidinone (mq).…”. X-ray diffraction, 3 ligands (QN8, QNN, ZN). MolNFT v1 #173587 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7B4H
Type
protein + DNA
Length
205 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P04637
Ligands
QN8, QNN, ZN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein194—P04637
B—dna11——

Ligands and binding sites

  • QN8 · (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one · ligand · 2 copies · chains A
  • QNN · (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one · ligand · chains A, B
  • ZN · Zinc ion · metal · chains A
  • FMT · Formic acid · additive · 4 copies · chains A, B
  • ACT · Acetate ion · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

  • 7B4H · Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene… · the same entry in another collection · chain A against A, TM-score 1.00

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