Chlorine in PDB 3q4k: Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp

All present enzymatic activity of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp:
2.7.7.7;

The structure of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp, PDB code: 3q4k was solved by P.Wolff, V.Olieric, J.P.Briand, O.Chaloin, A.Dejaegere, P.Dumas, E.Ennifar, G.Guichard, J.Wagner, D.Burnouf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 2.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.250, 80.000, 82.180, 66.15, 74.94, 82.03
R / Rfree (%)	22.8 / 29.4

The binding sites of Chlorine atom in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp (pdb code 3q4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp, PDB code: 3q4k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl372 b:37.2 occ:1.00 CL C:200372 0.0 37.2 1.0 CZ C:200372 1.7 26.6 1.0 CE2 C:200372 2.7 22.5 1.0 CE1 C:200372 2.7 22.8 1.0 CG2 A:THR172 3.5 3.0 1.0 OG1 A:THR172 3.7 11.9 1.0 CB A:THR172 3.9 10.8 1.0 CB A:TYR244 3.9 14.9 1.0 CA A:TYR244 3.9 15.0 1.0 CD2 C:200372 4.0 22.7 1.0 CD1 C:200372 4.0 20.8 1.0 CD1 A:LEU177 4.1 21.3 1.0 CG A:PRO242 4.2 16.2 1.0 CD2 A:LEU177 4.3 22.4 1.0 CG C:200372 4.5 25.1 1.0 N A:TYR244 4.5 15.9 1.0 CG2 A:VAL247 4.5 29.1 1.0 CG A:LEU177 4.6 21.8 1.0 CB A:PRO242 4.6 11.4 1.0 CD1 C:LEU371 4.6 21.3 1.0 CB A:LEU177 4.6 17.9 1.0 CB C:LEU371 4.7 29.7 1.0 O A:ASP243 4.8 25.4 1.0 C A:ASP243 4.9 21.9 1.0

Chlorine binding site 2 out of 2 in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl372 b:56.0 occ:1.00 CL D:200372 0.0 56.0 1.0 CZ D:200372 1.7 34.3 1.0 CE2 D:200372 2.7 26.0 1.0 CE1 D:200372 2.7 27.0 1.0 CD1 B:LEU177 3.3 19.7 1.0 CG B:PRO242 3.8 29.2 1.0 CG2 B:THR172 3.9 18.8 1.0 CB B:PRO242 4.0 25.4 1.0 CD2 D:200372 4.0 26.4 1.0 CD1 D:200372 4.0 38.1 1.0 O B:ASP243 4.2 35.7 1.0 CG1 B:VAL247 4.2 34.1 1.0 C B:ASP243 4.4 35.1 1.0 OG1 B:THR172 4.4 26.1 1.0 CA B:TYR244 4.4 31.3 1.0 CB B:THR172 4.4 24.3 1.0 CG D:200372 4.5 25.1 1.0 N B:TYR244 4.6 32.1 1.0 C B:PRO242 4.7 28.7 1.0 CG B:LEU177 4.8 18.1 1.0 O B:PRO242 4.8 27.2 1.0 N B:ASP243 4.9 27.8 1.0 CB B:VAL247 5.0 34.3 1.0

P.Wolff, V.Olieric, J.P.Briand, O.Chaloin, A.Dejaegere, P.Dumas, E.Ennifar, G.Guichard, J.Wagner, D.Y.Burnouf. Structure-Based Design of Short Peptide Ligands Binding Onto the E. Coli Processivity Ring. J.Med.Chem. V. 54 4627 2011.
ISSN: ISSN 0022-2623
PubMed: 21619076
DOI: 10.1021/JM200311M