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- PDB-9c6u: [d2d3] Tensegrity triangle with deazapurine center and helical st... -

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Basic information

Entry
Database: PDB / ID: 9c6u
Title[d2d3] Tensegrity triangle with deazapurine center and helical strands (strands 2+3) with P63 symmetry
Components
  • DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
  • DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')
  • DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
  • DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
KeywordsDNA / self-assembling / tensegrity triangle / deaza
Function / homologyDNA / DNA (> 10)
Function and homology information
Biological speciessynthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 5 Å
AuthorsVecchioni, S. / Sha, R. / Ohayon, Y. / Galindo, M. / Lopez-Chamorro, C. / Jong, M. / Woloszyn, K.
Funding support United States, 5items
OrganizationGrant numberCountry
Office of Naval Research (ONR)N000141912596 United States
Department of Energy (DOE, United States)DE-SC0007991 United States
National Science Foundation (NSF, United States)2106790 United States
National Science Foundation (NSF, United States)CCF-2106790 United States
National Science Foundation (NSF, United States)GCR-2317843 United States
CitationJournal: To Be Published
Title: Deazapurine DNA Nanostructures
Authors: Vecchioni, S.
History
DepositionJun 9, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 30, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')


Theoretical massNumber of molelcules
Total (without water)12,7854
Polymers12,7854
Non-polymers00
Water00
1
A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')


Theoretical massNumber of molelcules
Total (without water)38,35412
Polymers38,35412
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_565-y,x-y+1,z1
crystal symmetry operation3_455-x+y-1,-x,z1
2
A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')

A: DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')
B: DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')
C: DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')
D: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')


Theoretical massNumber of molelcules
Total (without water)524,167164
Polymers524,167164
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_455x-1,y,z1
crystal symmetry operation1_445x-1,y-1,z1
crystal symmetry operation1_454x-1,y,z-11
crystal symmetry operation1_444x-1,y-1,z-11
crystal symmetry operation1_554x,y,z-11
crystal symmetry operation2_565-y,x-y+1,z1
crystal symmetry operation2_454-y-1,x-y,z-11
crystal symmetry operation2_465-y-1,x-y+1,z1
crystal symmetry operation2_453-y-1,x-y,z-21
crystal symmetry operation2_464-y-1,x-y+1,z-11
crystal symmetry operation2_564-y,x-y+1,z-11
crystal symmetry operation2_455-y-1,x-y,z1
crystal symmetry operation3_455-x+y-1,-x,z1
crystal symmetry operation3_345-x+y-2,-x-1,z1
crystal symmetry operation3_355-x+y-2,-x,z1
crystal symmetry operation3_344-x+y-2,-x-1,z-11
crystal symmetry operation3_354-x+y-2,-x,z-11
crystal symmetry operation3_454-x+y-1,-x,z-11
crystal symmetry operation4_354-x-2,-y,z-1/21
crystal symmetry operation4_454-x-1,-y,z-1/21
crystal symmetry operation4_464-x-1,-y+1,z-1/21
crystal symmetry operation4_353-x-2,-y,z-3/21
crystal symmetry operation4_453-x-1,-y,z-3/21
crystal symmetry operation4_463-x-1,-y+1,z-3/21
crystal symmetry operation4_455-x-1,-y,z+1/21
crystal symmetry operation4_465-x-1,-y+1,z+1/21
crystal symmetry operation5_344y-2,-x+y-1,z-1/21
crystal symmetry operation5_445y-1,-x+y-1,z+1/21
crystal symmetry operation5_454y-1,-x+y,z-1/21
crystal symmetry operation5_343y-2,-x+y-1,z-3/21
crystal symmetry operation5_444y-1,-x+y-1,z-1/21
crystal symmetry operation5_453y-1,-x+y,z-3/21
crystal symmetry operation5_455y-1,-x+y,z+1/21
crystal symmetry operation6_454x-y-1,x,z-1/21
crystal symmetry operation6_555x-y,x,z+1/21
crystal symmetry operation6_565x-y,x+1,z+1/21
crystal symmetry operation6_453x-y-1,x,z-3/21
crystal symmetry operation6_554x-y,x,z-1/21
crystal symmetry operation6_564x-y,x+1,z-1/21
crystal symmetry operation6_563x-y,x+1,z-3/21
Unit cell
Length a, b, c (Å)125.393, 125.393, 59.368
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number173
Space group name H-MP63
Space group name HallP6c
Symmetry operation#1: x,y,z
#2: x-y,x,z+1/2
#3: y,-x+y,z+1/2
#4: -y,x-y,z
#5: -x+y,-x,z
#6: -x,-y,z+1/2

-
Components

#1: DNA chain DNA (5'-D(*(7GU)P*(7DA)P*(7GU)P*CP*(7DA)P*(7GU)P*CP*CP*TP*(7GU)P*TP*(7DA)P*CP*(7GU)P*(7GU)P*(7DA)P*CP*(7DA)P*TP*CP*(7DA))-3')


Mass: 6447.306 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#2: DNA chain DNA (5'-D(P*CP*CP*(7GU)P*TP*(7DA)P*CP*(7DA))-3')


Mass: 2079.436 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3')


Mass: 1825.216 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3')


Mass: 2432.614 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
Has ligand of interestY
Has protein modificationN

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.8 / Details: 100 mM MOPS, 1.25 M magnesium sulfate / Temp details: 338-293 at 0.4 degree/hr

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.9201 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jun 2, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9201 Å / Relative weight: 1
ReflectionResolution: 5→33.76 Å / Num. obs: 1895 / % possible obs: 89.1 % / Redundancy: 10.3 % / Biso Wilson estimate: 196.61 Å2 / CC1/2: 0.994 / Net I/σ(I): 4.4
Reflection shell
Resolution (Å)Mean I/σ(I) obsNum. unique obsCC1/2Diffraction-ID
5-5.4951.92110.7091
11.377-33.7617.92100.9921

-
Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
autoPROCdata reduction
STARANISOdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 5→33.76 Å / SU ML: 0.5403 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 39.2986
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2946 92 4.86 %
Rwork0.2475 1800 -
obs0.2499 1892 79.06 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 275.65 Å2
Refinement stepCycle: LAST / Resolution: 5→33.76 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 855 0 0 855
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0051948
X-RAY DIFFRACTIONf_angle_d1.01361435
X-RAY DIFFRACTIONf_chiral_restr0.05153
X-RAY DIFFRACTIONf_plane_restr0.00442
X-RAY DIFFRACTIONf_dihedral_angle_d38.1808330
LS refinement shellResolution: 5→33.76 Å
RfactorNum. reflection% reflection
Rfree0.2946 92 -
Rwork0.2475 1800 -
obs--79.06 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
11.52451895908-0.484646085056-3.47749051451.268549946110.1058496645848.784550573480.0977561893340.692638120756-1.28644227692-0.4773555365221.09439436988-0.3282240603040.122375894826-2.302675443912.260850906432.143527512080.7620001601315.930636159912.50628586144-0.07297932112623.39775839882-62.524-1.383-18.703
24.412895248343.09627759061.398402376026.055950080651.849318308860.6339733211220.412129013381-0.853757308838-0.7056392932110.1528101349560.541970045432-1.008573700920.1079455915732.71951697422-1.526689756163.24838268710.242265979746-2.592450037083.19675985827-1.914441241450.454083075252-46.33938.727-7.79
36.17187936708-5.85335129953-1.52821278147.899943276774.587396958975.15218498941.434196436720.9246294508126.16044232498-0.130026466633.89105854597-2.17264219527-0.82084820676-1.61269296834-2.908001499542.55395784266-0.1503886645120.3613298778742.207826496090.7481300876993.04202744003-55.34912.019-19.223
42.086111136910.0552143888642-2.550071742032.120566853912.898356339533.628596048732.763618892233.90955304232-0.9550360620895.97009392645-1.221690218224.007285891883.174778997866.189907493670.1694369886992.909548978330.3756924391380.259179353693.087222135070.007667104690722.64217262336-41.02547.0765.779
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND ( RESID 101:120 OR RESID 121:121 ) )A101 - 120
2X-RAY DIFFRACTION1( CHAIN A AND ( RESID 101:120 OR RESID 121:121 ) )A121
3X-RAY DIFFRACTION2( CHAIN B AND ( RESID 119:124 OR RESID 125:125 ) )B119 - 124
4X-RAY DIFFRACTION2( CHAIN B AND ( RESID 119:124 OR RESID 125:125 ) )B125
5X-RAY DIFFRACTION3( CHAIN C AND RESID 209:214 )C209 - 214
6X-RAY DIFFRACTION4( CHAIN D AND RESID 201:208 )D201 - 208

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