9J6P | pdb_00009j6p

pre-mir-125a internal loop in complex with G-clamp


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.49 Å
  • R-Value Free: 
    0.268 (Depositor), 0.283 (DCC) 
  • R-Value Work: 
    0.200 (Depositor), 0.212 (DCC) 
  • R-Value Observed: 
    0.207 (Depositor) 

Starting Model: in silico
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wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted A1L3YClick on this verticalbar to view details

This is version 1.0 of the entry. See complete history


Literature

pre-mir-125a internal loop in complex with G-clamp

Nagasawa, R.Onizuka, K.Kawamura, K.Tsuzuki, K.Murase, H.Komatsu, K.R.Miyashita, E.Saito, H.Kondo, J.Nagatsugi, F.

To be published.

Macromolecules

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains LengthOrganismImage
RNA (5'-R(P*UP*GP*CP*GP*GP*GP*GP*UP*CP*CP*CP*GP*GP*GP*AP*GP*GP*AP*CP*CP*GP*C)-3')
A, B
22synthetic construct
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
A1L3Y (Subject of Investigation/LOI)
Query on A1L3Y

Download Ideal Coordinates CCD File 
C [auth A],
D [auth B]
~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide
C22 H32 N6 O7
IOPVLKFMUHLRKC-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.49 Å
  • R-Value Free:  0.268 (Depositor), 0.283 (DCC) 
  • R-Value Work:  0.200 (Depositor), 0.212 (DCC) 
  • R-Value Observed: 0.207 (Depositor) 
Space Group: H 3 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 46.156α = 90
b = 46.156β = 90
c = 336.178γ = 120
Software Package:
Software NamePurpose
PHENIXrefinement
XSCALEdata scaling
XDSdata reduction
PHENIXphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted A1L3YClick on this verticalbar to view details

Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Japan Agency for Medical Research and Development (AMED)JapanJP23ama121014
Japan Science and TechnologyJapanJPMJFR2002
Japan Science and TechnologyJapanJPMJSP2114

Revision History  (Full details and data files)

  • Version 1.0: 2025-01-15
    Type: Initial release