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Chlorine in PDB 3tr9: Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii

Enzymatic activity of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii

All present enzymatic activity of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii:
2.5.1.15;

Protein crystallography data

The structure of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii, PDB code: 3tr9 was solved by J.Cheung, M.C.Franklin, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.44 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.877, 86.883, 158.159, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.2

Other elements in 3tr9:

The structure of Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii (pdb code 3tr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii, PDB code: 3tr9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3tr9

Go back to Chlorine Binding Sites List in 3tr9
Chlorine binding site 1 out of 2 in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii


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 Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:28.0
occ:1.00
NH1 A:ARG272 3.3 23.4 1.0
ND2 A:ASN35 3.4 14.5 1.0
NE2 A:HIS274 3.4 18.6 1.0
C13 A:PT11001 3.5 17.1 1.0
O A:HOH326 3.5 11.4 1.0
CE1 A:HIS274 3.7 14.5 1.0
NH2 A:ARG272 3.7 23.7 1.0
CD2 A:PHE41 3.8 16.1 1.0
CZ A:ARG272 4.0 19.3 1.0
C10 A:PT11001 4.0 18.5 1.0
CD1 A:ILE33 4.0 9.6 1.0
CB A:PHE41 4.0 22.9 1.0
O A:HOH369 4.1 27.7 0.8
CG2 A:ILE33 4.2 19.9 1.0
OD1 A:ASN35 4.2 19.6 1.0
CG A:ASN35 4.2 20.1 1.0
C12 A:PT11001 4.3 18.6 1.0
CG A:PHE41 4.4 18.3 1.0
O A:PHE41 4.6 20.4 1.0
CD2 A:HIS274 4.7 12.6 1.0
N14 A:PT11001 4.8 15.9 1.0
CE2 A:PHE41 4.8 17.9 1.0
C16 A:PT11001 4.8 15.4 1.0
N6 A:PT11001 4.8 16.4 1.0
CG1 A:ILE33 4.9 14.2 1.0
CA A:PHE41 5.0 18.2 1.0
ND1 A:HIS274 5.0 15.5 1.0
C A:PHE41 5.0 19.0 1.0

Chlorine binding site 2 out of 2 in 3tr9

Go back to Chlorine Binding Sites List in 3tr9
Chlorine binding site 2 out of 2 in the Structure of A Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii


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 Dihydropteroate Synthase (Folp) in Complex with Pteroic Acid From Coxiella Burnetii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl315

b:25.7
occ:1.00
NH1 B:ARG272 3.2 19.5 1.0
ND2 B:ASN35 3.4 15.8 1.0
NE2 B:HIS274 3.5 18.6 1.0
C13 B:PT11001 3.5 15.7 1.0
NH2 B:ARG272 3.6 24.1 1.0
O B:HOH318 3.7 14.7 0.8
O B:HOH386 3.8 28.2 1.0
CD2 B:PHE41 3.8 18.9 1.0
CZ B:ARG272 3.9 23.6 1.0
CE1 B:HIS274 3.9 20.0 1.0
CB B:PHE41 4.0 18.0 1.0
C10 B:PT11001 4.0 18.6 1.0
CG2 B:ILE33 4.1 16.7 1.0
CD1 B:ILE33 4.1 17.9 1.0
OD1 B:ASN35 4.2 23.6 1.0
CG B:ASN35 4.2 23.3 1.0
C12 B:PT11001 4.3 17.1 1.0
CG B:PHE41 4.4 18.9 1.0
O B:PHE41 4.6 21.1 1.0
CD2 B:HIS274 4.7 17.5 1.0
N6 B:PT11001 4.8 16.8 1.0
N14 B:PT11001 4.8 16.8 1.0
CA B:PHE41 4.9 15.2 1.0
CG1 B:ILE33 4.9 19.8 1.0
CE2 B:PHE41 4.9 18.9 1.0
C16 B:PT11001 4.9 20.1 1.0
C B:PHE41 5.0 19.3 1.0

Reference:

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841
Page generated: Sat Dec 12 10:13:02 2020

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