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Chlorine in PDB 4bae: Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
Enzymatic activity of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
All present enzymatic activity of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis:
5.99.1.3;
5.99.1.3;
Protein crystallography data
The structure of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis, PDB code: 4bae
was solved by
J.A.Read,
H.G.Gingell,
P.Madhavapeddi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 59.19 / 2.35 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 59.191, 78.249, 89.750, 90.00, 90.01, 90.00 |
| R / Rfree (%) | 19.42 / 23.72 |
Other elements in 4bae:
The structure of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis also contains other interesting chemical elements:
| Bromine | (Br) | 4 atoms |
| Calcium | (Ca) | 4 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
(pdb code 4bae). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis, PDB code: 4bae:
Jump to Chlorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Chlorine where determined in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis, PDB code: 4bae:
Jump to Chlorine binding site number: 1; 2; 3; 4;
Chlorine binding site 1 out of 4 in 4bae
Go back to
Chlorine Binding Sites List in 4bae
Chlorine binding site 1 out
of 4 in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis within 5.0Å range:
|
Chlorine binding site 2 out of 4 in 4bae
Go back to
Chlorine Binding Sites List in 4bae
Chlorine binding site 2 out
of 4 in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis within 5.0Å range:
|
Chlorine binding site 3 out of 4 in 4bae
Go back to
Chlorine Binding Sites List in 4bae
Chlorine binding site 3 out
of 4 in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis within 5.0Å range:
|
Chlorine binding site 4 out of 4 in 4bae
Go back to
Chlorine Binding Sites List in 4bae
Chlorine binding site 4 out
of 4 in the Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Optimisation of Pyrroleamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis within 5.0Å range:
|
Reference:
S.P.Hameed,
S.Solapure,
K.Mukherjee,
V.Nandi,
D.Waterson,
R.Shandil,
M.Balganesh,
V.K.Sambandamurthy,
A.K.Raichurkar,
A.Deshpande,
A.Ghosh,
D.Awasthy,
G.Shanbhag,
G.Sheikh,
H.Mcmiken,
J.Puttur,
J.Reddy,
J.Werngren,
J.Read,
M.Kumar,
M.R,
M.Chinnapattu,
P.Madhavapeddi,
P.Manjrekar,
R.Basu,
S.Gaonkar,
S.Sharma,
S.Hoffner,
V.Humnabadkar,
V.Subbulakshmi,
V.Panduga.
Optimization of Pyrrolamides As Mycobacterial Gyrb Atpase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother. V. 58 61 2014.
ISSN: ISSN 0066-4804
PubMed: 24126580
DOI: 10.1128/AAC.01751-13
Page generated: Sun Jul 21 09:52:49 2024
ISSN: ISSN 0066-4804
PubMed: 24126580
DOI: 10.1128/AAC.01751-13
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