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Chlorine in PDB 5n29: An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.

Enzymatic activity of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.

All present enzymatic activity of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.:
6.3.4.2;

Protein crystallography data

The structure of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex., PDB code: 5n29 was solved by J.De Souza, A.Dawson, W.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.480, 63.680, 76.580, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex. (pdb code 5n29). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex., PDB code: 5n29:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5n29

Go back to Chlorine Binding Sites List in 5n29
Chlorine binding site 1 out of 3 in the An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:16.5
occ:1.00
O A:HOH787 3.0 14.0 1.0
NZ A:LYS485 3.0 21.1 1.0
NH1 A:ARG541 3.2 15.7 1.0
O A:HOH814 3.3 27.5 1.0
CD1 A:PHE542 3.7 9.8 1.0
CE A:LYS485 3.7 19.8 1.0
CE1 A:PHE542 3.9 9.7 1.0
NH2 A:ARG541 4.0 16.7 1.0
CZ A:ARG541 4.1 16.0 1.0
CG1 A:ILE482 4.2 12.0 1.0
CG2 A:ILE482 4.2 12.1 1.0
CB A:SER565 4.6 10.2 1.0
CD1 A:ILE482 4.6 12.0 1.0
CB A:ILE482 4.8 12.1 1.0
O A:HOH734 4.9 15.3 1.0

Chlorine binding site 2 out of 3 in 5n29

Go back to Chlorine Binding Sites List in 5n29
Chlorine binding site 2 out of 3 in the An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:29.4
occ:1.00
NZ A:LYS401 3.1 15.9 1.0
NE A:ARG396 3.1 41.5 1.0
OG A:SER366 3.4 15.2 1.0
O A:HOH711 3.4 32.7 1.0
O A:GLY331 3.4 22.9 1.0
NH2 A:ARG396 3.5 38.8 1.0
CE A:LYS401 3.5 14.9 1.0
C A:GLY331 3.5 24.2 1.0
O A:HOH726 3.5 58.6 1.0
CG A:LYS332 3.6 33.9 1.0
CA A:GLY331 3.6 21.9 1.0
CZ A:ARG396 3.7 40.2 1.0
O A:ARG396 4.0 29.0 1.0
CD A:ARG396 4.1 40.2 1.0
CG A:ARG396 4.2 38.9 1.0
N A:LYS332 4.3 27.6 1.0
CB A:SER366 4.4 15.2 1.0
CD A:LYS332 4.4 35.6 1.0
C A:ARG396 4.8 29.7 1.0
OH A:TYR341 4.9 32.6 1.0
CB A:LYS332 4.9 32.4 1.0
CE A:LYS332 4.9 36.9 1.0
NH1 A:ARG396 4.9 40.2 1.0
CA A:LYS332 4.9 30.8 1.0
N A:GLY331 4.9 19.6 1.0

Chlorine binding site 3 out of 3 in 5n29

Go back to Chlorine Binding Sites List in 5n29
Chlorine binding site 3 out of 3 in the An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of An Improved Model of the Trypanosoma Brucei Ctp Synthase Glutaminase Domain:Acivicin Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:24.3
occ:1.00
N A:ARG500 3.0 14.4 1.0
N A:TYR501 3.1 13.8 1.0
NE2 A:GLN423 3.2 18.5 1.0
CB A:HIS499 3.5 13.2 1.0
C4 A:8JB419 3.6 23.1 1.0
CA A:HIS499 3.7 13.6 1.0
CD2 A:TYR501 3.9 14.4 1.0
C A:HIS499 3.9 14.1 1.0
CA A:ARG500 3.9 14.7 1.0
O A:TYR501 3.9 12.9 1.0
O A:HOH823 3.9 30.3 1.0
CB A:TYR501 4.0 13.6 1.0
C A:ARG500 4.0 14.3 1.0
CA A:TYR501 4.0 13.4 1.0
CD A:GLN423 4.2 16.4 1.0
CB A:ARG500 4.2 15.5 1.0
OE1 A:GLN423 4.3 17.7 1.0
C3 A:8JB419 4.4 21.4 1.0
CG A:TYR501 4.4 14.1 1.0
C A:TYR501 4.4 13.1 1.0
CG A:HIS499 4.6 13.2 1.0
S A:8JB419 4.6 17.0 1.0
O A:HOH729 4.7 10.5 1.0
C5 A:8JB419 4.8 24.9 1.0
CD2 A:HIS499 4.8 13.4 1.0
OE1 A:GLU443 4.8 20.9 1.0
CE2 A:TYR501 4.9 14.7 1.0
CG A:ARG500 4.9 16.4 1.0

Reference:

J.Oliveira De Souza, A.Dawson, W.N.Hunter. An Improved Model of the Trypanosoma Brucei Ctp Synthetase Glutaminase Domain-Acivicin Complex. Chemmedchem V. 12 577 2017.
ISSN: ESSN 1860-7187
PubMed: 28333400
DOI: 10.1002/CMDC.201700118
Page generated: Sat Dec 12 12:08:20 2020

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