Chlorine in PDB 3sw8: Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid

All present enzymatic activity of Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid:
3.5.1.88;

The structure of Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid, PDB code: 3sw8 was solved by N.Campobasso, K.J.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.12 / 1.70
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	50.015, 50.015, 91.605, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.3

The structure of Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid (pdb code 3sw8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid, PDB code: 3sw8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl205 b:25.7 occ:1.00 CL16 P:5LI205 0.0 25.7 1.0 C5 P:5LI205 1.7 27.1 1.0 C3 P:5LI205 2.6 26.6 1.0 C6 P:5LI205 2.7 25.5 1.0 CL17 P:5LI205 3.1 24.8 1.0 CG2 P:ILE169 3.6 18.0 1.0 CB P:HIS173 3.6 14.6 1.0 OE1 P:GLU128 3.7 17.7 1.0 CA P:VAL170 3.7 11.5 1.0 ND1 P:HIS173 3.7 18.0 1.0 CD P:GLU128 3.7 21.3 1.0 O P:ILE169 3.9 12.7 1.0 CG P:HIS173 3.9 16.2 1.0 C1 P:5LI205 3.9 26.5 1.0 CG2 P:VAL170 3.9 15.0 1.0 OE2 P:GLU128 3.9 14.8 1.0 C4 P:5LI205 4.0 25.0 1.0 N P:VAL170 4.0 12.5 1.0 C P:ILE169 4.0 12.5 1.0 CG P:GLU128 4.3 19.0 1.0 CB P:VAL170 4.4 10.9 1.0 C2 P:5LI205 4.5 21.9 1.0 CD1 P:LEU124 4.6 20.9 1.0 CB P:ILE169 4.6 15.6 1.0 CE1 P:HIS173 4.7 20.7 1.0 C P:VAL170 4.7 12.3 1.0 O P:VAL170 4.8 12.7 1.0 CB P:GLU128 4.9 17.4 1.0 CG1 P:VAL170 4.9 13.2 1.0 CA P:ILE169 5.0 12.9 1.0 CD2 P:HIS173 5.0 18.4 1.0

Chlorine binding site 2 out of 2 in the Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Strep Peptide Deformylase with A Time Dependent Dichlorobenzamide- Reverse Hydroxamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl205 b:24.8 occ:1.00 CL17 P:5LI205 0.0 24.8 1.0 C6 P:5LI205 1.7 25.5 1.0 C5 P:5LI205 2.7 27.1 1.0 C4 P:5LI205 2.7 25.0 1.0 C8 P:5LI205 3.1 24.2 1.0 CL16 P:5LI205 3.1 25.7 1.0 OE2 P:GLU174 3.2 20.3 1.0 O14 P:5LI205 3.5 26.2 1.0 CG P:HIS173 3.5 16.2 1.0 ND1 P:HIS173 3.6 18.0 1.0 CD2 P:HIS173 3.7 18.4 1.0 N11 P:5LI205 3.7 22.5 1.0 CE1 P:HIS173 3.9 20.7 1.0 C7 P:5LI205 3.9 19.4 1.0 NE2 P:HIS173 3.9 19.3 1.0 CB P:HIS173 3.9 14.6 1.0 C2 P:5LI205 4.0 21.9 1.0 C3 P:5LI205 4.0 26.6 1.0 CG2 P:VAL71 4.0 17.8 1.0 CG1 P:VAL170 4.3 13.2 1.0 CD P:GLU174 4.4 15.4 1.0 N12 P:5LI205 4.4 21.2 1.0 O13 P:5LI205 4.4 17.5 1.0 C1 P:5LI205 4.5 26.5 1.0 C10 P:5LI205 4.5 23.9 1.0 N P:GLY72 4.5 15.7 1.0 CA P:VAL170 4.6 11.5 1.0 O P:VAL170 4.6 12.7 1.0 CG2 P:VAL170 4.7 15.0 1.0 C9 P:5LI205 4.7 27.2 1.0 CA P:GLY72 4.8 17.1 1.0 CB P:VAL170 4.8 10.9 1.0 O P:GLY129 4.9 22.7 1.0

R.Totoritis, C.Duraiswami, A.N.Taylor, J.J.Kerrigan, N.Campobasso, K.J.Smith, P.Ward, B.W.King, M.Murrayz-Thompson, A.D.Jones, G.S.Van Aller, K.M.Aubart, M.Zalacain, S.H.Thrall, T.D.Meek, B.Schwartz. Understanding the Origins of Time-Dependent Inhibition By Polypeptide Deformylase Inhibitors. Biochemistry V. 50 6642 2011.
ISSN: ISSN 0006-2960
PubMed: 21711014
DOI: 10.1021/BI200655G