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Manganese in PDB 2y1c: X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Manganese.

Enzymatic activity of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with 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 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 Manganese., PDB code: 2y1c 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 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.826, 67.477, 84.621, 90.00, 107.48, 90.00
R / Rfree (%) 19.522 / 24.22

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Manganese. (pdb code 2y1c). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Manganese., PDB code: 2y1c:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 2y1c

Go back to Manganese Binding Sites List in 2y1c
Manganese 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 Manganese.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1390

b:22.3
occ:1.00
OE2 A:GLU222 2.2 22.6 1.0
OD1 A:ASP151 2.2 28.0 1.0
O A:HOH2167 2.2 24.2 1.0
O A:HOH2166 2.2 21.6 1.0
OE1 A:GLU153 2.2 17.8 1.0
O A:HOH2168 2.2 23.8 1.0
OD2 A:ASP151 2.5 30.7 1.0
CG A:ASP151 2.7 25.7 1.0
CD A:GLU153 3.1 19.3 1.0
CD A:GLU222 3.1 22.4 1.0
OE2 A:GLU153 3.3 19.9 1.0
OE1 A:GLU222 3.7 20.5 1.0
CG A:GLU222 4.1 20.9 1.0
ND2 A:ASN218 4.2 27.6 1.0
OG A:SER152 4.2 25.9 1.0
CB A:ASP151 4.2 23.5 1.0
CG A:GLU153 4.5 19.8 1.0
N A:SER152 4.6 22.2 1.0
NZ A:LYS128 4.6 28.4 1.0
N A:GLU153 4.7 20.0 1.0
OD1 A:ASN218 4.8 29.0 1.0
NZ A:LYS219 4.8 22.6 1.0
CB A:GLU153 4.8 19.1 1.0
CE A:LYS128 4.9 27.9 1.0
CG A:ASN218 5.0 24.7 1.0
CA A:ASP151 5.0 22.9 1.0

Manganese binding site 2 out of 2 in 2y1c

Go back to Manganese Binding Sites List in 2y1c
Manganese 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 Manganese.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1390

b:22.5
occ:1.00
OE2 B:GLU222 2.2 18.9 1.0
OD2 B:ASP151 2.2 29.0 1.0
O B:HOH2304 2.2 26.0 1.0
O B:HOH2305 2.2 24.3 1.0
OE1 B:GLU153 2.2 18.2 1.0
O B:HOH2303 2.2 22.1 1.0
OD1 B:ASP151 2.7 27.1 1.0
CG B:ASP151 2.8 23.2 1.0
CD B:GLU222 3.1 19.4 1.0
CD B:GLU153 3.1 20.2 1.0
OE2 B:GLU153 3.4 23.8 1.0
OE1 B:GLU222 3.5 17.7 1.0
ND2 B:ASN218 4.1 25.8 1.0
CG B:GLU222 4.2 15.7 1.0
CB B:ASP151 4.2 20.4 1.0
CG B:GLU153 4.4 17.5 1.0
NZ B:LYS128 4.6 24.1 1.0
N B:GLU153 4.7 17.1 1.0
N B:SER152 4.7 19.0 1.0
NZ B:LYS219 4.8 21.1 1.0
CB B:GLU153 4.8 16.5 1.0
CE B:LYS128 5.0 22.4 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: Tue Dec 15 04:06:38 2020

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