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Chlorine in PDB 2fq1: Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains

Enzymatic activity of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains

All present enzymatic activity of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains:
3.3.2.1;

Protein crystallography data

The structure of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains, PDB code: 2fq1 was solved by E.J.Drake, D.A.Nicolai, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.889, 82.331, 164.730, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 24.1

Other elements in 2fq1:

The structure of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains (pdb code 2fq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains, PDB code: 2fq1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2fq1

Go back to Chlorine Binding Sites List in 2fq1
Chlorine binding site 1 out of 2 in the Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl951

b:39.8
occ:1.00
 N A:GLY156 3.1 37.1 1.0
N A:TYR152 3.3 40.8 1.0
O A:HOH1053 3.4 37.3 1.0
CA A:GLY156 3.6 38.7 1.0
CB A:ILE155 3.7 35.9 1.0
CD2 A:TYR152 3.7 43.9 1.0
O A:HOH1084 3.7 37.6 1.0
CE1 A:HIS36 3.8 32.1 1.0
O A:VAL151 3.9 43.0 1.0
CG2 A:ILE155 3.9 27.4 1.0
O A:TYR152 4.1 42.1 1.0
C A:VAL151 4.1 39.1 1.0
CB A:TYR152 4.1 35.8 1.0
C A:ILE155 4.2 40.2 1.0
CA A:TYR152 4.2 37.4 1.0
O A:HOH1085 4.3 36.8 1.0
CG A:TYR152 4.4 39.1 1.0
CA A:ILE155 4.5 37.3 1.0
C A:TYR152 4.6 37.3 1.0
NE2 A:HIS36 4.6 35.8 1.0
CG1 A:ILE155 4.7 33.8 1.0
ND1 A:HIS36 4.7 41.2 1.0
OD2 A:ASP37 4.7 50.0 1.0
CD1 A:ILE155 4.7 36.3 1.0
CE2 A:TYR152 4.7 31.6 1.0
C A:GLY156 4.8 40.5 1.0
N A:CYS157 4.8 36.9 1.0

Chlorine binding site 2 out of 2 in 2fq1

Go back to Chlorine Binding Sites List in 2fq1
Chlorine binding site 2 out of 2 in the Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Two-Domain Non-Ribosomal Peptide Synthetase Entb Containing Isochorismate Lyase and Aryl-Carrier Protein Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl950

b:36.4
occ:1.00
 N B:GLY156 3.1 35.9 1.0
O B:HOH1065 3.3 37.1 1.0
N B:TYR152 3.4 37.9 1.0
O B:HOH1003 3.4 39.6 1.0
CA B:GLY156 3.6 35.0 1.0
CB B:ILE155 3.7 34.4 1.0
O B:HOH1082 3.7 37.1 1.0
CD2 B:TYR152 3.8 37.5 1.0
CG2 B:ILE155 4.0 29.8 1.0
CE1 B:HIS36 4.0 36.5 1.0
CB B:TYR152 4.0 35.0 1.0
O B:TYR152 4.0 35.7 1.0
O B:VAL151 4.1 40.8 1.0
CA B:TYR152 4.2 35.8 1.0
C B:VAL151 4.2 35.9 1.0
O B:HOH1016 4.2 42.3 1.0
C B:ILE155 4.3 37.5 1.0
CG B:TYR152 4.4 34.4 1.0
CA B:ILE155 4.5 37.4 1.0
O B:HOH1064 4.6 35.9 1.0
CD1 B:ILE155 4.6 27.7 1.0
C B:TYR152 4.6 36.3 1.0
CG1 B:ILE155 4.6 35.3 1.0
OD2 B:ASP37 4.7 52.4 1.0
ND1 B:HIS36 4.8 43.3 1.0
C B:GLY156 4.8 29.5 1.0
CE2 B:TYR152 4.9 37.6 1.0
CD1 B:TYR126 5.0 36.2 1.0
NE2 B:HIS36 5.0 40.8 1.0

Reference:

E.J.Drake, D.A.Nicolai, A.M.Gulick. Structure of the Entb Multidomain Nonribosomal Peptide Synthetase and Functional Analysis of Its Interaction with the Ente Adenylation Domain. Chem.Biol. V. 13 409 2006.
ISSN: ISSN 1074-5521
PubMed: 16632253
DOI: 10.1016/J.CHEMBIOL.2006.02.005
Page generated: Sat Jul 20 07:12:07 2024

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