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MolNFT v1 · #114364 · DNA

The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-a-a-T-T-C-G-C-G

5BNA · DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3'): “The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-a-a-T-T-C-G-C-G”. X-ray diffraction, 1 ligand (PTN), 1 pocket (best druggability 0.28). MolNFT v1 #114364…

PDB
5BNA
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3')
Ligands
PTN
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3')dna12——

Ligands and binding sites

  • PTN · Platinum triamine ion · ligand · 3 copies · chains A, B

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
1680.280.7416empty

Interfaces

1 interface between chains.

  • A–B · 571 Ų buried · 61 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5BNA · The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-a-a-T-T-C-G-C-G · the same entry in another collection · chain A against A, TM-score 1.00

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