NDB ID: 8FS1    PDB ID: 8FS1     NAKB: 8FS1 

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Title:

CAMA ADENINE METHYLTRANSFERASE COMPLEXED TO COGNATE SUBSTRATE DNA AND INHIBITOR 11A (YD905)

Molecular Description:

Deposited:

2023-01-09

Released:

2023-05-10

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Zhou, J., Deng, Y., Iyamu, I.D., Horton, J.R., Yu, D., Hajian, T., Vedadi, M., Rotili, D., Mai, A., Blumenthal, R.M., Zhang, X., Huang, R., Cheng, X.
Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. 
Acs Chem.Biol., 18, pp. 734 - 745, 2023.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 21 21 21

Cell Constants:

a = 80.914   b = 160.725   c = 229.624 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the PHENIX program. The R value is 0.1725 for 79068 reflections in the resolution range 48.55 to 2.74 Ångstroms with Fobs >  1.34 sigma(Fobs) and with I >  0.0 sigma(I)

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Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

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Biological Assembly coordinates (pdb format) 1 2 3 

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

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