MolNFT v1 · #3881 · DNA

Crystal structure of a berenil-D(CGCAAATTTGCG) complex; an example of drug-DNA recognition based on sequence- dependent structural features

1D63 · DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3'): “Crystal structure of a berenil-D(CGCAAATTTGCG) complex; an example of drug-DNA recognition based on sequence…”. X-ray diffraction, 2 ligands (BRN, MG). MolNFT v1 #3881 on…

PDB: 1D63
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*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3')
Ligands: BRN, MG

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	DNA (5'-D(CPGPCPAPAPAPTPTPTPGPCPG)- 3')	dna	12	—	—

Ligands and binding sites

BRN · Berenil · ligand · chains A, B
MG · Magnesium ion · metal · chains A, B

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

Interfaces

1 interface between chains.

A–B · 557 Å² buried · 49 hydrogen bonds · nucleic-nucleic

Compared structures

1D63 · Crystal structure of a berenil-D(CGCAAATTTGCG) complex; an example of drug-DNA… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1D63 · PDBe 1D63

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