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Chlorine in PDB 3q4l: Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp

Enzymatic activity of 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;

Protein crystallography data

The structure of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp, PDB code: 3q4l 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) 39.00 / 1.95
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 34.840, 79.570, 81.640, 65.28, 75.26, 82.22
R / Rfree (%) 19.9 / 23.2

Other elements in 3q4l:

The structure of Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp (pdb code 3q4l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Small Peptide Ligand Bound to E.Coli Dna Sliding Clamp, PDB code: 3q4l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3q4l

Go back to Chlorine Binding Sites List in 3q4l
Chlorine binding site 1 out of 4 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:50.3
occ:1.00
 CLZ C:ZCL372 0.0 50.3 1.0
CZ C:ZCL372 1.7 57.0 1.0
CE1 C:ZCL372 2.7 59.9 1.0
CE2 C:ZCL372 2.8 57.9 1.0
CLE1 C:ZCL372 3.0 66.7 1.0
CD1 A:LEU177 3.2 31.6 1.0
CG2 A:VAL247 3.6 45.8 1.0
CA A:TYR244 3.6 34.7 1.0
CB A:TYR244 3.7 34.6 1.0
CG A:PRO242 3.8 37.8 1.0
CG2 A:THR172 4.0 26.9 1.0
CD1 C:ZCL372 4.0 57.4 1.0
CD2 C:ZCL372 4.1 57.4 1.0
N A:TYR244 4.1 34.8 1.0
CB A:PRO242 4.1 32.6 1.0
OG1 A:THR172 4.6 28.5 1.0
CG C:ZCL372 4.6 57.0 1.0
CB A:THR172 4.6 29.7 1.0
C A:ASP243 4.6 38.4 1.0
CG A:LEU177 4.7 29.9 1.0
O A:ASP243 4.7 37.4 1.0
C A:PRO242 4.7 35.6 1.0
O A:PRO242 4.7 32.0 1.0
CB A:VAL247 4.8 45.6 1.0
CG1 A:VAL247 4.9 44.8 1.0
C A:TYR244 4.9 39.9 1.0
CD1 C:LEU371 4.9 27.7 1.0

Chlorine binding site 2 out of 4 in 3q4l

Go back to Chlorine Binding Sites List in 3q4l
Chlorine binding site 2 out of 4 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
C:Cl372

b:66.7
occ:1.00
 CLE1 C:ZCL372 0.0 66.7 1.0
CE1 C:ZCL372 1.7 59.9 1.0
CD1 C:ZCL372 2.6 57.4 1.0
CZ C:ZCL372 2.7 57.0 1.0
CLZ C:ZCL372 3.0 50.3 1.0
CG2 A:THR172 3.3 26.9 1.0
OG1 A:THR172 3.3 28.5 1.0
CA A:GLY174 3.5 28.1 1.0
CB A:THR172 3.9 29.7 1.0
CG C:ZCL372 3.9 57.0 1.0
N A:GLY174 3.9 26.8 1.0
CG A:PRO242 3.9 37.8 1.0
CE2 C:ZCL372 4.0 57.9 1.0
CB C:LEU371 4.2 37.3 1.0
CD1 C:LEU371 4.2 27.7 1.0
C A:GLY174 4.3 32.5 1.0
CD2 C:ZCL372 4.4 57.4 1.0
O A:GLY174 4.6 32.0 1.0
CB A:PRO242 4.6 32.6 1.0
CD2 A:LEU155 4.8 32.8 1.0
CG C:LEU371 4.8 32.2 1.0
CD1 A:LEU177 5.0 31.6 1.0

Chlorine binding site 3 out of 4 in 3q4l

Go back to Chlorine Binding Sites List in 3q4l
Chlorine binding site 3 out of 4 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 3 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:62.3
occ:1.00
 CLZ D:ZCL372 0.0 62.3 1.0
CZ D:ZCL372 1.7 56.3 1.0
CE1 D:ZCL372 2.6 56.0 1.0
CE2 D:ZCL372 2.8 52.4 1.0
CLE1 D:ZCL372 2.8 60.6 1.0
CD1 B:LEU177 3.3 30.9 1.0
CG2 B:VAL247 3.7 37.7 1.0
C B:ASP243 3.8 41.5 1.0
O B:ASP243 3.8 41.0 1.0
CA B:TYR244 3.8 36.1 1.0
N B:TYR244 3.8 36.3 1.0
CG B:PRO242 3.9 52.3 1.0
CD1 D:ZCL372 3.9 52.8 1.0
CB B:PRO242 4.0 48.1 1.0
CD2 D:ZCL372 4.0 50.2 1.0
CG1 B:VAL247 4.2 37.6 1.0
N B:ASP243 4.3 42.4 1.0
C B:PRO242 4.4 47.5 1.0
CG D:ZCL372 4.5 50.0 1.0
O B:PRO242 4.5 47.1 1.0
CG2 B:THR172 4.6 36.2 1.0
CB B:VAL247 4.6 37.7 1.0
CA B:ASP243 4.6 40.5 1.0
C B:TYR244 4.7 38.6 1.0
CB B:TYR244 4.7 37.1 1.0
CG B:LEU177 4.7 30.7 1.0
CA B:PRO242 4.8 46.7 1.0
O B:TYR244 4.9 36.5 1.0

Chlorine binding site 4 out of 4 in 3q4l

Go back to Chlorine Binding Sites List in 3q4l
Chlorine binding site 4 out of 4 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 4 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:60.6
occ:1.00
 CLE1 D:ZCL372 0.0 60.6 1.0
CE1 D:ZCL372 1.7 56.0 1.0
CD1 D:ZCL372 2.6 52.8 1.0
CZ D:ZCL372 2.6 56.3 1.0
CLZ D:ZCL372 2.8 62.3 1.0
OG1 B:THR172 3.3 31.7 1.0
CD1 D:LEU371 3.6 33.7 1.0
CG2 B:THR172 3.6 36.2 1.0
CG D:ZCL372 3.9 50.0 1.0
CB D:LEU371 3.9 34.2 1.0
CE2 D:ZCL372 4.0 52.4 1.0
CB B:THR172 4.0 38.7 1.0
CG B:PRO242 4.0 52.3 1.0
CD1 B:LEU177 4.3 30.9 1.0
CA B:GLY174 4.4 33.6 1.0
CD2 D:ZCL372 4.4 50.2 1.0
CG D:LEU371 4.4 33.3 1.0
CB B:PRO242 4.5 48.1 1.0
N B:GLY174 4.6 33.6 1.0
CG1 B:VAL247 4.8 37.6 1.0
C B:GLY174 5.0 36.5 1.0

Reference:

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
Page generated: Sun Jul 21 02:45:25 2024

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