Fluorine in PDB 4y2h: Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor

All present enzymatic activity of Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor:
2.1.1.125;

The structure of Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor, PDB code: 4y2h was solved by K.K.Swinger, P.A.Boriack-Sjodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.74 / 2.37
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	99.970, 99.970, 89.490, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.2

The binding sites of Fluorine atom in the Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor (pdb code 4y2h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor, PDB code: 4y2h:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:14.1 occ:1.00 FAP A:49K402 0.0 14.1 1.0 CAO A:49K402 1.4 14.1 1.0 CAN A:49K402 2.4 14.2 1.0 CAQ A:49K402 2.4 13.4 1.0 CG A:GLU164 3.5 15.2 1.0 CAM A:49K402 3.7 13.7 1.0 CAR A:49K402 3.7 13.3 1.0 O A:HOH584 3.8 22.4 1.0 CD A:GLU164 3.9 15.7 1.0 NE2 A:HIS163 4.1 14.1 1.0 CAL A:49K402 4.2 13.4 1.0 CE1 A:TYR47 4.2 16.4 1.0 OE1 A:GLU164 4.2 14.8 1.0 CD1 A:TYR47 4.3 17.5 1.0 CD2 A:HIS163 4.4 14.1 1.0 OE2 A:GLU164 4.5 16.6 1.0 O A:HOH557 4.6 9.2 1.0 CB A:GLU164 4.9 14.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Protein Arginine Methyltransferase PRMT6 Bound to Sah and An Aryl Pyrazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:18.2 occ:1.00 FAP B:49K402 0.0 18.2 1.0 CAO B:49K402 1.3 18.5 1.0 CAQ B:49K402 2.3 18.2 1.0 CAN B:49K402 2.4 17.7 1.0 CG B:GLU164 3.5 17.0 1.0 CAR B:49K402 3.6 18.9 1.0 CAM B:49K402 3.6 18.5 1.0 CD B:GLU164 3.9 17.7 1.0 NE2 B:HIS163 4.0 14.5 1.0 CAL B:49K402 4.1 18.7 1.0 OE1 B:GLU164 4.2 17.4 1.0 CD2 B:HIS163 4.3 15.1 1.0 CE1 B:TYR47 4.3 18.6 1.0 OE2 B:GLU164 4.4 16.5 1.0 CD1 B:TYR47 4.5 18.7 1.0 SG B:CYS50 4.6 25.6 1.0 CB B:CYS50 4.7 22.6 1.0 O B:HOH526 4.8 13.6 1.0 CB B:GLU164 4.9 17.5 1.0 O B:HOH576 4.9 32.1 1.0

L.H.Mitchell, A.E.Drew, S.Ribich, N.Rioux, K.K.Swinger, S.L.Jacques, T.Lingaraj, P.A.Boriack-Sjodin, N.J.Waters, T.J.Wigle, O.Moradei, L.Jin, T.Riera, M.Porter-Scott, M.P.Moyer, J.J.Smith, R.Chesworth, R.A.Copeland. Aryl Pyrazoles As Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound Acs Med.Chem.Lett. 2015.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.5B00071