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Crystal structure of color device state B

Analyse Crystal structure of color device state B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5I6Q
Type
DNA
Length
136 nucleotides
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*GP*TP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)- 3'); DNA…
Pockets
3 · best druggability 0.48

Structure

x-ray diffraction · 8 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'- D(*GP*TP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)- 3')dna21——
BDNA (26-mer)dna26——
CDNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3')dna14——
DDNA (5'-D(*AP*CP*AP*GP*TP*CP*GP*TP*GP*GP*TP*AP*TP*C)-3')dna14——
EDNA (5'-D(*TP*GP*CP*GP*TP*AP*GP*TP*GP*GP*TP*CP*GP*C)-3')dna14——
FDNA (5'- D(*CP*AP*GP*AP*TP*AP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*TP*AP*CP*G)- 3')dna21——
GDNA (5'- D(*GP*AP*GP*CP*GP*AP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)- 3')dna21——
HDNA (5'-D(P*TP*AP*GP*AP*C)-3')dna5——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13250.480.7227empty
22450.440.7218empty
31740.400.7318empty

Interfaces

13 interfaces between chains.

  • A–B · 360 Ų buried · 41 hydrogen bonds · nucleic-nucleic
  • E–G · 339 Ų buried · 41 hydrogen bonds · nucleic-nucleic
  • B–F · 339 Ų buried · 27 hydrogen bonds · nucleic-nucleic
  • B–G · 337 Ų buried · 20 hydrogen bonds · nucleic-nucleic
  • A–C · 323 Ų buried · 39 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5I6Q · Crystal structure of color device state B · the same entry in another collection · chain A against A, TM-score 1.00

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