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MolNFT v1 · #173582 · protein

Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene quinuclidinone (mq). human P53DBD-R273C mutant bound to mq: R273C-mq (II)

7B4C: “Structural basis of reactivation of oncogenic P53 mutants by a small molecule: methylene quinuclidinone (mq).…”. X-ray diffraction, 3 ligands (QNN, QN8, ZN). MolNFT v1 #173582 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7B4C
Type
protein
Length
765 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P04637
Ligands
QNN, QN8, ZN

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein191—P04637
B—protein190—P04637
C—protein191—P04637
D—protein193—P04637

Ligands and binding sites

  • QNN · (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one · ligand · 6 copies · chains A, B, C, D
  • QN8 · (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one · ligand · chains B
  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C, D
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains D

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

Compared structures

  • 7B4C · 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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