Chlorine in PDB 3s7b: Structural Basis of Substrate Methylation and Inhibition of SMYD2

All present enzymatic activity of Structural Basis of Substrate Methylation and Inhibition of SMYD2:
2.1.1.43;

The structure of Structural Basis of Substrate Methylation and Inhibition of SMYD2, PDB code: 3s7b was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.10 / 2.42
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	155.860, 155.860, 52.830, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.8

The structure of Structural Basis of Substrate Methylation and Inhibition of SMYD2 also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Structural Basis of Substrate Methylation and Inhibition of SMYD2 (pdb code 3s7b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Basis of Substrate Methylation and Inhibition of SMYD2, PDB code: 3s7b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Basis of Substrate Methylation and Inhibition of SMYD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Basis of Substrate Methylation and Inhibition of SMYD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl439 b:80.4 occ:1.00 CL38 A:NH5439 0.0 80.4 1.0 C4 A:NH5439 1.7 74.2 1.0 C5 A:NH5439 2.7 70.6 1.0 C3 A:NH5439 2.8 71.1 1.0 CL39 A:NH5439 3.2 71.9 1.0 CG1 A:ILE149 3.7 48.9 1.0 O A:HOH490 3.9 48.2 1.0 O A:LYS145 3.9 57.3 1.0 C6 A:NH5439 4.0 68.4 1.0 C2 A:NH5439 4.0 68.1 1.0 ND2 A:ASN180 4.0 60.7 1.0 CG A:LYS145 4.1 67.2 1.0 CD1 A:ILE149 4.1 48.7 1.0 CB A:LYS145 4.2 57.9 1.0 CG A:ASN180 4.2 68.4 1.0 CB A:LEU148 4.4 54.5 1.0 CA A:LYS145 4.4 56.6 1.0 OD1 A:ASN180 4.5 64.4 1.0 C1 A:NH5439 4.5 67.7 1.0 C A:LYS145 4.6 59.4 1.0 N A:ILE149 4.7 49.5 1.0 CD A:LYS145 4.8 78.7 1.0 CD1 A:LEU148 4.8 61.5 1.0 CB A:ASN180 5.0 35.0 1.0

Chlorine binding site 2 out of 2 in the Structural Basis of Substrate Methylation and Inhibition of SMYD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Basis of Substrate Methylation and Inhibition of SMYD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl439 b:71.9 occ:1.00 CL39 A:NH5439 0.0 71.9 1.0 C3 A:NH5439 1.7 71.1 1.0 C2 A:NH5439 2.7 68.1 1.0 C4 A:NH5439 2.7 74.2 1.0 CL38 A:NH5439 3.2 80.4 1.0 O A:HOH527 3.4 40.2 1.0 CD1 A:ILE149 3.7 48.7 1.0 CD1 A:LEU141 3.9 58.7 1.0 CA A:ALA177 3.9 36.1 1.0 CB A:ASN180 4.0 35.0 1.0 C1 A:NH5439 4.0 67.7 1.0 C5 A:NH5439 4.0 70.6 1.0 CB A:ALA177 4.1 38.1 1.0 ND2 A:ASN180 4.1 60.7 1.0 CG A:ASN180 4.2 68.4 1.0 CG1 A:ILE149 4.4 48.9 1.0 CD A:LYS145 4.5 78.7 1.0 O A:ALA177 4.5 37.1 1.0 C6 A:NH5439 4.5 68.4 1.0 CG A:LEU141 4.7 60.1 1.0 CZ A:PHE259 4.7 45.2 1.0 C A:ALA177 4.7 37.5 1.0 N A:ALA177 4.7 37.0 1.0 CG A:LYS145 4.8 67.2 1.0 CB A:LYS145 4.8 57.9 1.0 CE2 A:PHE259 4.9 45.9 1.0 O A:PHE176 4.9 39.0 1.0

A.D.Ferguson, N.A.Larsen, T.Howard, H.Pollard, I.Green, C.Grande, T.Cheung, R.Garcia-Arenas, S.Cowen, J.Wu, R.Godin, H.Chen, N.Keen. Structural Basis of Substrate Methylation and Inhibition of SMYD2. Structure V. 19 1262 2011.
ISSN: ISSN 0969-2126
PubMed: 21782458
DOI: 10.1016/J.STR.2011.06.011