Atomistry » Chlorine » PDB 2xzk-2y57 » 2y1d
Atomistry »
  Chlorine »
    PDB 2xzk-2y57 »
      2y1d »

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 Dec 12 09:27:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy