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NMR structure of a new G-quadruplex forming sequence within the KRAS proto-oncogene promoter region

Analyse NMR structure of a new G-quadruplex forming sequence within the KRAS… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5I2V
Type
DNA
Length
22 nucleotides
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*AP*GP*GP*GP*CP*GP*GP*TP*GP*TP*GP*GP*GP*AP*AP*TP*AP*GP*GP*GP*AP*A)- 3')
Ligands
K
Pockets
1 · best druggability 0.43

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'- D(*AP*GP*GP*GP*CP*GP*GP*TP*GP*TP*GP*GP*GP*AP*AP*TP*AP*GP*GP*GP*AP*A)- 3')dna22——

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11080.430.789empty

Compared structures

  • 5I2V · NMR structure of a new G-quadruplex forming sequence within the KRAS proto-oncogene… · the same entry in another collection · chain A against A, TM-score 1.00

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