Fluorine in PDB 7u30: PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1

Enzymatic activity of PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1

All present enzymatic activity of PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1:
2.1.1.320;

Protein crystallography data

The structure of PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1, PDB code: 7u30 was solved by R.L.Palte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 89.35 / 2.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 104.418, 138.742, 178.704, 90, 90, 90
R / Rfree (%) 21 / 20.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1 (pdb code 7u30). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1, PDB code: 7u30:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7u30

Go back to Fluorine Binding Sites List in 7u30
Fluorine binding site 1 out of 2 in the PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F707

b:91.5
occ:1.00
F1 A:LB3707 0.0 91.5 1.0
C3 A:LB3707 1.4 82.5 1.0
C A:LB3707 2.3 79.1 1.0
C4 A:LB3707 2.4 78.0 1.0
F A:LB3707 2.7 82.3 1.0
OE2 A:GLU435 3.3 70.9 1.0
O A:HOH813 3.3 66.5 1.0
C1 A:LB3707 3.6 76.0 1.0
C5 A:LB3707 3.6 78.0 1.0
OH A:TYR334 3.8 101.0 1.0
CD A:GLU435 3.9 94.6 1.0
C2 A:LB3707 4.1 76.9 1.0
CD1 A:TYR324 4.2 72.3 1.0
OE1 A:GLU435 4.4 89.2 1.0
O A:PHE327 4.4 92.5 1.0
CE1 A:TYR324 4.7 70.0 1.0
CG A:GLU435 4.7 78.2 1.0
CB A:PHE327 4.8 89.8 1.0
CG A:PRO370 4.8 96.7 1.0
C6 A:LB3707 4.9 76.8 1.0
NZ A:LYS333 4.9 99.9 1.0
CG A:GLU328 5.0 103.1 1.0
C A:PHE327 5.0 93.3 1.0
O A:TYR324 5.0 81.2 1.0
CA A:GLY367 5.0 67.2 1.0

Fluorine binding site 2 out of 2 in 7u30

Go back to Fluorine Binding Sites List in 7u30
Fluorine binding site 2 out of 2 in the PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F707

b:82.3
occ:1.00
F A:LB3707 0.0 82.3 1.0
C A:LB3707 1.3 79.1 1.0
C3 A:LB3707 2.3 82.5 1.0
C1 A:LB3707 2.4 76.0 1.0
F1 A:LB3707 2.7 91.5 1.0
CB A:PHE327 3.2 89.8 1.0
C2 A:LB3707 3.6 76.9 1.0
C4 A:LB3707 3.6 78.0 1.0
CA A:TYR324 3.8 73.8 1.0
CG A:PHE327 3.9 91.7 1.0
CD2 A:PHE327 3.9 94.2 1.0
CD1 A:TYR324 3.9 72.3 1.0
O A:TYR324 4.1 81.2 1.0
C5 A:LB3707 4.1 78.0 1.0
O A:THR323 4.1 78.0 1.0
CA A:PHE327 4.3 88.1 1.0
C A:TYR324 4.4 81.7 1.0
N A:TYR324 4.5 74.7 1.0
O A:PHE327 4.5 92.5 1.0
C A:PHE327 4.5 93.3 1.0
CG A:TYR324 4.5 71.6 1.0
CD1 A:LEU319 4.5 73.3 1.0
CB A:TYR324 4.6 72.7 1.0
C A:THR323 4.6 78.0 1.0
CE1 A:TYR324 4.6 70.0 1.0
N A:PHE327 4.7 88.0 1.0
O A:HOH813 4.9 66.5 1.0

Reference:

S.Kawamura, R.L.Palte, H.Y.Kim, J.Sauri, C.Sondey, M.S.Mansueto, M.D.Altman, M.R.Machacek. Design and Synthesis of Unprecedented 9- and 10-Membered Cyclonucleosides with PRMT5 Inhibitory Activity. Bioorg.Med.Chem. V. 66 16820 2022.
ISSN: ESSN 1464-3391
PubMed: 35594650
DOI: 10.1016/J.BMC.2022.116820
Page generated: Fri Aug 2 13:53:12 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy