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Manganese in PDB 4aic: X-Ray Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, Dxr, RV2870C, From Mycobacterium Tuberculosis, in Complex with Fosmidomycin, 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 Fosmidomycin, 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 Fosmidomycin, 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 Fosmidomycin, Manganese and Nadph, PDB code: 4aic was solved by L.M.Henriksson, T.Unge, T.A.Jones, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.284, 65.256, 86.041, 90.00, 101.81, 90.00
R / Rfree (%) 17.144 / 21.716

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 Fosmidomycin, Manganese and Nadph (pdb code 4aic). 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 Fosmidomycin, Manganese and Nadph, PDB code: 4aic:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4aic

Go back to Manganese Binding Sites List in 4aic
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 Fosmidomycin, Manganese and Nadph


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 Fosmidomycin, Manganese and Nadph within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1392

b:13.9
occ:1.00
 OD1 A:ASP151 2.1 17.6 1.0
OE2 A:GLU222 2.1 13.3 1.0
OE1 A:GLU153 2.2 11.9 1.0
O2 A:FOM1390 2.2 16.8 1.0
O1 A:FOM1390 2.2 17.1 1.0
N1 A:FOM1390 2.6 17.3 1.0
C1 A:FOM1390 2.6 16.9 1.0
OE2 A:GLU153 2.8 10.2 1.0
CD A:GLU153 2.8 11.2 1.0
CD A:GLU222 3.0 11.9 1.0
CG A:ASP151 3.3 18.0 1.0
OE1 A:GLU222 3.4 11.8 1.0
NZ A:LYS128 3.6 17.8 1.0
C2 A:FOM1390 3.9 18.1 1.0
C3 A:FOM1390 3.9 18.1 1.0
CB A:ASP151 4.0 15.5 1.0
N A:SER152 4.1 13.4 1.0
CG A:GLU222 4.1 11.0 1.0
C5N A:NDP1391 4.2 20.5 1.0
ND2 A:ASN218 4.2 10.2 1.0
OG A:SER152 4.2 17.6 1.0
CG A:GLU153 4.3 10.9 1.0
OD2 A:ASP151 4.3 20.4 1.0
CA A:ASP151 4.4 13.9 1.0
N A:GLU153 4.5 11.8 1.0
C A:ASP151 4.6 13.5 1.0
C6N A:NDP1391 4.7 19.9 1.0
CB A:GLU153 4.9 10.5 1.0
C4N A:NDP1391 4.9 20.1 1.0
CA A:SER152 5.0 13.4 1.0
CE A:LYS128 5.0 16.3 1.0
OD1 A:ASN218 5.0 10.4 1.0
NZ A:LYS219 5.0 10.7 1.0

Manganese binding site 2 out of 2 in 4aic

Go back to Manganese Binding Sites List in 4aic
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 Fosmidomycin, Manganese and Nadph


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 Fosmidomycin, Manganese and Nadph within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1390

b:11.9
occ:1.00
 O B:HOH2110 2.1 12.9 1.0
OE2 B:GLU222 2.1 9.6 1.0
OD2 B:ASP151 2.1 12.2 1.0
OE1 B:GLU153 2.2 10.0 1.0
O B:HOH2116 2.2 17.4 1.0
O B:HOH2111 2.3 9.6 1.0
CG B:ASP151 3.0 12.3 1.0
CD B:GLU153 3.1 9.3 1.0
CD B:GLU222 3.2 8.7 1.0
OD1 B:ASP151 3.2 12.9 1.0
OE2 B:GLU153 3.3 9.7 1.0
O B:HOH2112 3.6 16.1 1.0
OE1 B:GLU222 3.7 8.9 1.0
OG B:SER152 3.9 12.2 1.0
O B:HOH2113 4.0 23.6 1.0
ND2 B:ASN218 4.1 10.3 1.0
CG B:GLU222 4.4 8.1 1.0
O B:HOH2160 4.4 17.9 1.0
CB B:ASP151 4.4 11.4 1.0
CG B:GLU153 4.5 8.7 1.0
C5N B:NDP1392 4.6 67.7 0.0
N B:GLU153 4.6 9.2 1.0
N B:SER152 4.7 10.5 1.0
NZ B:LYS219 4.8 9.8 1.0
O1 B:SO41391 4.8 13.3 1.0
C4N B:NDP1392 4.9 67.7 0.0
CB B:GLU153 4.9 8.9 1.0

Reference:

L.M.Henriksson, T.Unge, J.Carlsson, J.Aqvist, S.L.Mowbray, T.A.Jones. Structures of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose- 5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem. V. 282 19905 2007.
ISSN: ISSN 0021-9258
PubMed: 17491006
DOI: 10.1074/JBC.M701935200
Page generated: Sat Oct 5 18:44:13 2024

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