5AXB

Crystal structure of mouse SAHH complexed with noraristeromycin

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.65 Å
  • R-Value Free: 0.181 
  • R-Value Work: 0.154 
  • R-Value Observed: 0.156 

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This is version 1.2 of the entry. See complete history. 


Literature

Crystal structure of mouse SAHH complexed with noraristeromycin

Kusakabe, Y., Ishihara, M., Tanaka, N.

To be published.

Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
AdenosylhomocysteinaseA,
B [auth C]		432Mus musculusMutation(s): 0 
Gene Names: Ahcy
EC: 3.3.1.1 (PDB Primary Data), 3.13.2.1 (UniProt)
UniProt & NIH Common Fund Data Resources
Find proteins for P50247 (Mus musculus)
Explore P50247 
Go to UniProtKB:  P50247
IMPC:  MGI:87968
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP50247
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
NAD
Query on NAD
Download Ideal Coordinates CCD File 
C [auth A],
F [auth C]		NICOTINAMIDE-ADENINE-DINUCLEOTIDE
C21 H27 N7 O14 P2
BAWFJGJZGIEFAR-NNYOXOHSSA-N
NRN
Query on NRN
Download Ideal Coordinates CCD File 
D [auth A],
G [auth C]		(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
C10 H13 N5 O3
VFKHECGAEJNAMV-HETMPLHPSA-N
NA
Query on NA
Download Ideal Coordinates CCD File 
E [auth A],
H [auth C]		SODIUM ION
Na
FKNQFGJONOIPTF-UHFFFAOYSA-N
Binding Affinity Annotations 
IDSourceBinding Affinity
NRN BindingDB:  5AXB Ki: min: 11.1, max: 160 (nM) from 2 assay(s)
IC50: min: 1100, max: 3100 (nM) from 2 assay(s)
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.65 Å
  • R-Value Free: 0.181 
  • R-Value Work: 0.154 
  • R-Value Observed: 0.156 
  • Space Group: I 2 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 100.442α = 90
b = 104.459β = 90
c = 176.744γ = 90
Software Package:
Software NamePurpose
REFMACrefinement

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2016-07-27
    Type: Initial release
  • Version 1.1: 2020-02-26
    Changes: Data collection, Derived calculations
  • Version 1.2: 2024-03-20
    Changes: Data collection, Database references, Derived calculations