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MolNFT v1 · #26631 · DNA

X-ray structure of the a-decamer gcgtatacgc with a single 2'-O-butyl thymine in place of T6, sr-form

1WV6 · 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3': “X-ray structure of the a-decamer gcgtatacgc with a single 2'-O-butyl thymine in place of T6, sr-form”. X-ray diffraction, 1 ligand (SR), 1 pocket (best druggability 0.31). MolNFT v1…

PDB
1WV6
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3'
Ligands
SR
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3'dna10——

Ligands and binding sites

  • SR · Strontium ion · metal · 5 copies · chains B, 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
11020.310.7213SR

Interfaces

1 interface between chains.

  • A–B · 479 Ų buried · 49 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 1WV6 · X-ray structure of the A-decamer GCGTATACGC with a single 2'-O-butyl thymine in place of… · the same entry in another collection · chain A against A, TM-score 1.00

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