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2.4 ångström crystal structure of the asymmetric platinum complex {PT(AMMINE)(CYCLOHEXYLAMINE)}2+ bound to a dodecamer DNA duplex

Analyse 2.4 ångström crystal structure of the asymmetric platinum complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LU5
Type
DNA
Length
48 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3'; 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3'
Ligands
LPT
Pockets
2 · best druggability 0.32

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3'dna12——
B, D5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3'dna12——

Ligands and binding sites

  • LPT · Cis-(ammine)(cyclohexylamine)platinum(ii) complex · ligand · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11120.320.7211LPT
2660.250.7211LPT

Interfaces

3 interfaces between chains.

  • A–B · 563 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • C–D · 563 Ų buried · 57 hydrogen bonds · nucleic-nucleic
  • A–C · 113 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1LU5 · 2.4 Angstrom Crystal Structure of the Asymmetric Platinum Complex… · the same entry in another collection · chain A against A, TM-score 1.00

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