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Chlorine in PDB 5cpr: The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity

Enzymatic activity of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity

All present enzymatic activity of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity:
2.1.1.43;

Protein crystallography data

The structure of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity, PDB code: 5cpr was solved by C.G.Jakob, A.K.Upadhyay, C.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.47 / 2.22
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.209, 47.913, 129.072, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.9

Other elements in 5cpr:

The structure of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity (pdb code 5cpr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity, PDB code: 5cpr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5cpr

Go back to Chlorine Binding Sites List in 5cpr
Chlorine binding site 1 out of 2 in the The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:25.8
occ:1.00
CL1 B:539403 0.0 25.8 1.0
C2 B:539403 1.7 20.7 1.0
C24 B:539403 2.7 20.8 1.0
C3 B:539403 2.7 19.8 1.0
CL4 B:539403 3.2 25.3 1.0
O B:ALA289 3.4 23.9 1.0
N B:GLY229 3.4 22.1 1.0
CA B:GLY229 3.5 21.9 1.0
CB B:ALA289 3.5 19.7 1.0
C B:ALA289 3.6 23.3 1.0
CB B:ALA268 3.7 19.9 1.0
CZ3 B:TRP264 3.9 19.6 1.0
CE3 B:TRP264 3.9 18.3 1.0
CD1 B:PHE281 4.0 18.2 1.0
C7 B:539403 4.0 19.1 1.0
C5 B:539403 4.0 19.6 1.0
CA B:ALA289 4.1 19.4 1.0
C B:GLY229 4.2 24.9 1.0
N B:CYS290 4.2 21.1 1.0
C B:VAL228 4.2 26.1 1.0
O B:GLY229 4.4 22.4 1.0
CE1 B:PHE281 4.4 19.4 1.0
C6 B:539403 4.5 21.6 1.0
CA B:CYS290 4.5 22.2 1.0
N B:ALA289 4.6 20.9 1.0
O B:CYS290 4.6 26.9 1.0
CH2 B:TRP264 4.7 21.0 1.0
CD2 B:TRP264 4.7 17.2 1.0
CG B:PHE281 4.8 16.9 1.0
C B:CYS290 4.8 26.3 1.0
O B:VAL228 4.9 26.0 1.0
CA B:VAL228 4.9 22.3 1.0

Chlorine binding site 2 out of 2 in 5cpr

Go back to Chlorine Binding Sites List in 5cpr
Chlorine binding site 2 out of 2 in the The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Novel SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:25.3
occ:1.00
CL4 B:539403 0.0 25.3 1.0
C3 B:539403 1.7 19.8 1.0
C2 B:539403 2.7 20.7 1.0
C5 B:539403 2.7 19.6 1.0
CL1 B:539403 3.2 25.8 1.0
C B:ALA268 3.3 21.8 1.0
N B:ALA269 3.4 17.6 1.0
O B:ALA268 3.4 21.8 1.0
CB B:ALA268 3.6 19.9 1.0
CA B:ALA269 3.7 17.0 1.0
CB B:TRP264 3.9 17.1 1.0
C24 B:539403 4.0 20.8 1.0
C6 B:539403 4.0 21.6 1.0
CA B:GLY229 4.0 21.9 1.0
CB B:ALA269 4.0 16.7 1.0
CA B:ALA268 4.0 19.4 1.0
CE3 B:TRP264 4.1 18.3 1.0
O B:HOH524 4.2 27.2 1.0
CE1 B:PHE281 4.2 19.4 1.0
O B:HOH550 4.3 23.7 1.0
CG B:TRP264 4.4 17.5 1.0
CD2 B:TRP264 4.4 17.2 1.0
C7 B:539403 4.5 19.1 1.0
C B:TRP264 4.7 24.8 1.0
N B:GLY229 4.7 22.1 1.0
N B:ALA268 4.8 19.7 1.0
CZ B:PHE281 4.8 18.4 1.0
CD1 B:PHE281 4.8 18.2 1.0
CA B:TRP264 4.8 18.9 1.0
O B:TRP264 4.9 23.9 1.0
N B:LEU265 4.9 22.0 1.0
OG B:SER251 5.0 26.7 1.0

Reference:

K.D.Bromberg, T.R.Mitchell, A.K.Upadhyay, C.G.Jakob, M.A.Jhala, K.M.Comess, L.M.Lasko, C.Li, C.T.Tuzon, Y.Dai, F.Li, M.S.Eram, A.Nuber, N.B.Soni, V.Manaves, M.A.Algire, R.F.Sweis, M.Torrent, G.Schotta, C.Sun, M.R.Michaelides, A.R.Shoemaker, C.H.Arrowsmith, P.J.Brown, V.Santhakumar, A.Martin, J.C.Rice, G.G.Chiang, M.Vedadi, D.Barsyte-Lovejoy, W.N.Pappano. The SUV4-20 Inhibitor A-196 Verifies A Role For Epigenetics in Genomic Integrity. Nat. Chem. Biol. V. 13 317 2017.
ISSN: ESSN 1552-4469
PubMed: 28114273
DOI: 10.1038/NCHEMBIO.2282
Page generated: Sat Dec 12 11:35:40 2020

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