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Chlorine in PDB 6k1s: Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors

Enzymatic activity of Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors

All present enzymatic activity of Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors:
2.1.1.320;

Protein crystallography data

The structure of Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors, PDB code: 6k1s was solved by S.Tong, H.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.639, 138.724, 178.022, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 27.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors (pdb code 6k1s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors, PDB code: 6k1s:

Chlorine binding site 1 out of 1 in 6k1s

Go back to Chlorine Binding Sites List in 6k1s
Chlorine binding site 1 out of 1 in the Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:70.1
occ:1.00
 CLA A:CUX700 0.0 70.1 1.0
CAW A:CUX700 1.7 58.9 1.0
CAV A:CUX700 2.7 55.8 1.0
CAX A:CUX700 2.7 59.8 1.0
CB A:PHE327 3.7 76.9 1.0
O A:TYR324 3.7 59.9 1.0
CAU A:CUX700 3.9 56.7 1.0
C A:PHE327 4.0 72.2 1.0
CD1 A:TYR324 4.0 54.5 1.0
OH A:TYR334 4.0 96.6 1.0
CAY A:CUX700 4.0 58.5 1.0
CG A:GLU328 4.0 71.1 1.0
N A:GLU328 4.0 75.2 1.0
O A:PHE327 4.3 72.3 1.0
CA A:TYR324 4.3 59.1 1.0
OE2 A:GLU435 4.3 58.8 1.0
NZ A:LYS333 4.3 89.2 1.0
OE1 A:GLU435 4.4 72.3 1.0
CA A:PHE327 4.4 73.4 1.0
C A:TYR324 4.5 58.9 1.0
CAT A:CUX700 4.5 57.5 1.0
CD A:GLU435 4.6 68.2 1.0
CA A:GLU328 4.6 77.6 1.0
OE2 A:GLU328 4.7 65.5 1.0
CB A:TYR324 4.7 56.9 1.0
CE1 A:TYR324 4.8 54.1 1.0
CD A:GLU328 4.8 69.9 1.0
CG A:TYR324 4.8 55.1 1.0
CB A:GLU328 4.9 74.0 1.0
CG A:PHE327 4.9 81.7 1.0
N A:PHE327 5.0 71.0 1.0

Reference:

H.Lin, M.Wang, Y.W.Zhang, S.Tong, R.A.Leal, R.Shetty, K.Vaddi, J.I.Luengo. Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors. Acs Med.Chem.Lett. V. 10 1033 2019.
ISSN: ISSN 1948-5875
PubMed: 31312404
DOI: 10.1021/ACSMEDCHEMLETT.9B00074
Page generated: Sun Jul 28 02:23:22 2024

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