MolNFT v1 · #153596 · DNA

Crystal structure of a two-quartet DNA mixed-PARALLEL/ANTIPARALLEL G- quadruplex

6JJG · DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'): “Crystal structure of a two-quartet DNA mixed-PARALLEL/ANTIPARALLEL G- quadruplex”. X-ray diffraction, 2 ligands (K, NA), 1 pocket (best druggability 0.32). MolNFT v1 #153596…

PDB: 6JJG
Type: DNA
Length: 28 nucleotides
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Ligands: K, NA
Pockets: 1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	DNA (5'-D(GPGPCPTPCPGPGPCPGPGPCPGPGPA)-3')	dna	14	—	—

Ligands and binding sites

K · Potassium ion · metal · 3 copies · chains A, B
NA · Sodium ion · metal · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	72	0.32	0.75	11	empty

Interfaces

1 interface between chains.

A–B · 683 Å² buried · 37 hydrogen bonds · nucleic-nucleic

Compared structures

6JJG · Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex · 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 6JJG · PDBe 6JJG

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