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Chlorine in PDB 2y1g: X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with A 3,4-Dichlorophenyl- Substituted FR900098 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 FR900098 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 FR900098 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 FR900098 Analogue and Manganese., PDB code: 2y1g 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 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.525, 65.022, 86.227, 90.00, 101.88, 90.00
R / Rfree (%) 18.223 / 23.293

Other elements in 2y1g:

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 FR900098 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 FR900098 Analogue and Manganese. (pdb code 2y1g). 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 FR900098 Analogue and Manganese., PDB code: 2y1g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2y1g

Go back to Chlorine Binding Sites List in 2y1g
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 FR900098 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 FR900098 Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:33.6
occ:1.00
 CL2 A:FM51390 0.0 33.6 1.0
C9 A:FM51390 1.8 33.3 1.0
C8 A:FM51390 2.8 33.5 1.0
C10 A:FM51390 2.8 33.8 1.0
CL1 A:FM51390 3.2 34.8 1.0
CB A:SER245 3.6 11.8 1.0
CB A:PRO265 3.7 12.4 1.0
CG A:PRO265 3.7 12.8 1.0
OG A:SER245 3.8 12.6 1.0
O A:HOH2173 4.1 15.8 1.0
C7 A:FM51390 4.1 33.1 1.0
C11 A:FM51390 4.1 33.1 1.0
O A:HOH2146 4.2 35.2 1.0
O A:HOH2145 4.6 32.0 1.0
C6 A:FM51390 4.6 32.5 1.0
O A:SER245 5.0 11.9 1.0

Chlorine binding site 2 out of 2 in 2y1g

Go back to Chlorine Binding Sites List in 2y1g
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 FR900098 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 FR900098 Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1390

b:34.8
occ:1.00
 CL1 A:FM51390 0.0 34.8 1.0
C8 A:FM51390 1.8 33.5 1.0
C7 A:FM51390 2.8 33.1 1.0
C9 A:FM51390 2.8 33.3 1.0
O A:HOH2178 3.0 25.6 1.0
CL2 A:FM51390 3.2 33.6 1.0
O A:HOH2186 3.4 21.0 1.0
CB A:SER245 3.8 11.8 1.0
CE1 A:HIS248 4.0 13.4 1.0
CB A:PRO265 4.0 12.4 1.0
ND1 A:HIS248 4.1 11.9 1.0
C5 A:FM51390 4.1 28.5 1.0
C6 A:FM51390 4.1 32.5 1.0
C10 A:FM51390 4.1 33.8 1.0
OG A:SER152 4.2 14.5 1.0
O A:SER245 4.2 11.9 1.0
O A:HOH2176 4.3 27.0 1.0
OG A:SER245 4.3 12.6 1.0
CG A:PRO265 4.4 12.8 1.0
C11 A:FM51390 4.6 33.1 1.0
CA A:PRO265 4.7 12.4 1.0
C1 A:FM51390 4.8 29.7 1.0
O A:HOH2117 4.9 16.1 1.0
CB A:SER152 4.9 11.3 1.0
CA A:SER245 4.9 11.5 1.0
C A:SER245 5.0 11.3 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 14:22:14 2024

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