Atomistry » Chlorine » PDB 3bqc-3c4w » 3c06
Atomistry »
  Chlorine »
    PDB 3bqc-3c4w »
      3c06 »

Chlorine in PDB 3c06: Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1

Enzymatic activity of Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1

All present enzymatic activity of Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1:
2.1.1.45;

Protein crystallography data

The structure of Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1, PDB code: 3c06 was solved by R.Leone, S.Mangani, L.Cancian, M.P.Costi, R.Luciani, S.Ferrari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.29 / 2.60
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 76.573, 76.573, 212.931, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 29.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1 (pdb code 3c06). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1, PDB code: 3c06:

Chlorine binding site 1 out of 1 in 3c06

Go back to Chlorine Binding Sites List in 3c06
Chlorine binding site 1 out of 1 in the Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lactobacillus Casei Thymidylate Synthase Ternary Complex with Dump and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl318

b:48.2
occ:0.50
 CL39 A:14C318 0.0 48.2 0.5
C30 A:14C318 1.8 48.7 0.5
C28 A:14C318 2.7 48.1 0.5
N32 A:14C318 2.8 48.1 0.5
O A:HOH358 3.7 31.6 1.0
CZ2 A:TRP85 3.9 63.5 1.0
NE1 A:TRP85 3.9 64.2 1.0
C34 A:14C318 4.0 47.4 0.5
C26 A:14C318 4.1 47.1 0.5
CE2 A:TRP85 4.1 63.8 1.0
CZ2 A:TRP82 4.3 42.2 1.0
CH2 A:TRP82 4.3 42.1 1.0
C5 A:UMP317 4.4 33.0 1.0
CE2 A:TRP82 4.4 41.2 1.0
CZ3 A:TRP82 4.5 42.3 1.0
C36 A:14C318 4.5 47.4 0.5
CD2 A:TRP82 4.6 42.1 1.0
CE3 A:TRP82 4.6 42.2 1.0
CH2 A:TRP85 4.9 64.5 1.0
C6 A:UMP317 4.9 32.4 1.0
CD2 A:LEU195 5.0 40.1 1.0

Reference:

S.Mangani, L.Cancian, R.Leone, C.Pozzi, S.Lazzari, R.Luciani, S.Ferrari, M.P.Costi. Identification of the Binding Modes of N-Phenylphthalimides Inhibiting Bacterial Thymidylate Synthase Through X-Ray Crystallography Screening J.Med.Chem. V. 54 5454 2011.
ISSN: ISSN 0022-2623
PubMed: 21696158
DOI: 10.1021/JM2005018
Page generated: Fri Jul 11 03:32:31 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy