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Chlorine in PDB 2y1d: X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese.

Enzymatic activity of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese.

All present enzymatic activity of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese.:
1.1.1.267;

Protein crystallography data

The structure of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese., PDB code: 2y1d was solved by L.M.Henriksson, A.M.S.Larsson, T.Bergfors, C.Bjorkelid, T.Unge, S.L.Mowbray, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.622, 67.318, 84.301, 90.00, 107.38, 90.00
R / Rfree (%) 20.9 / 26.1

Other elements in 2y1d:

The structure of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese. also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese. (pdb code 2y1d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese., PDB code: 2y1d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2y1d

Go back to Chlorine Binding Sites List in 2y1d
Chlorine binding site 1 out of 2 in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:48.4
occ:1.00
CL1 A:34F1390 0.0 48.4 1.0
C8 A:34F1390 1.8 47.0 1.0
C7 A:34F1390 2.7 46.1 1.0
C9 A:34F1390 2.8 46.3 1.0
CL2 A:34F1390 3.3 46.2 1.0
C6 A:34F1390 4.1 45.8 1.0
C10 A:34F1390 4.1 46.5 1.0
C11 A:34F1390 4.6 46.5 1.0
CB A:SER177 4.7 28.5 1.0
OG A:SER177 4.7 29.4 1.0
OG A:SER245 4.9 27.7 1.0

Chlorine binding site 2 out of 2 in 2y1d

Go back to Chlorine Binding Sites List in 2y1d
Chlorine binding site 2 out of 2 in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4- Dichlorophenyl-Substituted Fosmidomycin Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:46.2
occ:1.00
CL2 A:34F1390 0.0 46.2 1.0
C9 A:34F1390 1.8 46.3 1.0
C10 A:34F1390 2.8 46.5 1.0
C8 A:34F1390 2.8 47.0 1.0
CL1 A:34F1390 3.3 48.4 1.0
CB A:SER245 3.4 27.4 1.0
OG A:SER245 3.6 27.7 1.0
CB A:PRO265 3.7 29.5 1.0
CG A:PRO265 3.8 29.5 1.0
C11 A:34F1390 4.1 46.5 1.0
C7 A:34F1390 4.1 46.1 1.0
O A:HOH2031 4.1 33.5 1.0
C6 A:34F1390 4.6 45.8 1.0
O A:SER245 4.8 27.0 1.0
CA A:SER245 4.9 27.1 1.0
CA A:PRO265 5.0 29.5 1.0

Reference:

M.Andaloussi, L.M.Henriksson, A.Wieckowska, M.Lindh, C.Bjorkelid, A.M.S.Larsson, H.Iyer, B.R.Srinivasa, T.Bergfors, T.Unge, S.L.Mowbray, M.Larhed, T.A.Jones, A.Karlen. Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues As Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem V. 54 4964 2011.
ISSN: ISSN 0022-2623
PubMed: 21678907
DOI: 10.1021/JM2000085
Page generated: Sat Jul 20 14:22:04 2024

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