Atomistry » Chlorine » PDB 2xzk-2y57 » 2y1f
Atomistry »
  Chlorine »
    PDB 2xzk-2y57 »
      2y1f »

Chlorine in PDB 2y1f: 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, Manganese and Nadph.

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, Manganese and Nadph.

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, Manganese and Nadph.:
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, Manganese and Nadph., PDB code: 2y1f 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) 45.00 / 1.96
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.439, 65.019, 86.169, 90.00, 102.05, 90.00
R / Rfree (%) 17.2 / 21

Other elements in 2y1f:

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, Manganese and Nadph. 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, Manganese and Nadph. (pdb code 2y1f). 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, Manganese and Nadph., PDB code: 2y1f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2y1f

Go back to Chlorine Binding Sites List in 2y1f
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, Manganese and Nadph.


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, Manganese and Nadph. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:26.7
occ:1.00
 CL1 A:34F1390 0.0 26.7 1.0
C8 A:34F1390 1.8 24.2 1.0
C9 A:34F1390 2.8 23.9 1.0
C7 A:34F1390 2.8 23.1 1.0
CL2 A:34F1390 3.2 23.9 1.0
O A:HOH2159 3.5 29.2 1.0
O A:HOH2065 3.5 33.5 1.0
O A:HOH2167 3.6 19.1 1.0
CB A:SER245 3.7 13.8 1.0
CE1 A:HIS248 3.8 11.7 1.0
CB A:PRO265 3.9 13.9 1.0
ND1 A:HIS248 4.0 11.4 1.0
C10 A:34F1390 4.1 24.4 1.0
C6 A:34F1390 4.1 23.3 1.0
O A:SER245 4.2 13.7 1.0
CG A:PRO265 4.3 14.5 1.0
OG A:SER245 4.4 13.3 1.0
O A:HOH2158 4.4 28.5 1.0
OG A:SER152 4.4 13.5 1.0
CA A:PRO265 4.5 14.3 1.0
C11 A:34F1390 4.6 24.0 1.0
O A:HOH2237 4.7 38.0 1.0
C1 A:34F1390 4.8 19.0 1.0
CA A:SER245 4.9 13.6 1.0
O A:HOH2103 4.9 29.8 1.0
C A:SER245 5.0 13.4 1.0

Chlorine binding site 2 out of 2 in 2y1f

Go back to Chlorine Binding Sites List in 2y1f
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, Manganese and Nadph.


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, Manganese and Nadph. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:23.9
occ:1.00
 CL2 A:34F1390 0.0 23.9 1.0
C9 A:34F1390 1.8 23.9 1.0
C8 A:34F1390 2.8 24.2 1.0
C10 A:34F1390 2.8 24.4 1.0
CL1 A:34F1390 3.2 26.7 1.0
CB A:PRO265 3.6 13.9 1.0
CB A:SER245 3.6 13.8 1.0
CG A:PRO265 3.7 14.5 1.0
O A:HOH2157 3.8 21.9 1.0
OG A:SER245 3.8 13.3 1.0
C7 A:34F1390 4.1 23.1 1.0
C11 A:34F1390 4.1 24.0 1.0
O A:HOH2065 4.5 33.5 1.0
C6 A:34F1390 4.6 23.3 1.0
CA A:PRO265 5.0 14.3 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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy