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Manganese 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:

Chlorine (Cl) 2 atoms

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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and Manganese. (pdb code 2y1g). 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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and Manganese., PDB code: 2y1g:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 2y1g

Go back to Manganese Binding Sites List in 2y1g
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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and 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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1391

b:16.0
occ:1.00
 O1 A:FM51390 2.1 28.0 1.0
OD1 A:ASP151 2.2 16.4 1.0
OE1 A:GLU153 2.2 12.4 1.0
OE2 A:GLU222 2.2 13.8 1.0
O2 A:FM51390 2.2 26.4 1.0
C1 A:FM51390 2.8 29.7 1.0
N1 A:FM51390 2.8 29.6 1.0
CD A:GLU153 2.9 12.4 1.0
OE2 A:GLU153 3.1 13.1 1.0
CG A:ASP151 3.1 15.5 1.0
CD A:GLU222 3.1 11.4 1.0
OD2 A:ASP151 3.5 20.3 1.0
OE1 A:GLU222 3.6 13.1 1.0
NZ A:LYS128 3.7 24.3 1.0
ND2 A:ASN218 4.0 16.7 1.0
OG A:SER152 4.1 14.5 1.0
C2 A:FM51390 4.2 29.3 1.0
C5 A:FM51390 4.3 28.5 1.0
N A:SER152 4.3 11.4 1.0
CG A:GLU222 4.3 9.9 1.0
CG A:GLU153 4.4 10.8 1.0
CB A:ASP151 4.4 14.2 1.0
C3 A:FM51390 4.4 29.6 1.0
C4 A:FM51390 4.5 30.3 1.0
N A:GLU153 4.6 10.6 1.0
CA A:ASP151 4.8 12.9 1.0
CB A:GLU153 4.8 10.4 1.0
C A:ASP151 4.8 12.6 1.0
NZ A:LYS219 4.9 12.7 1.0
CG A:ASN218 5.0 13.9 1.0
OD1 A:ASN218 5.0 16.0 1.0

Manganese binding site 2 out of 2 in 2y1g

Go back to Manganese Binding Sites List in 2y1g
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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and 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 A 3,4-Dichlorophenyl- Substituted FR900098 Analogue and Manganese. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1390

b:12.1
occ:1.00
 OD2 B:ASP151 2.2 11.2 1.0
OE2 B:GLU222 2.2 7.1 1.0
O B:HOH2310 2.2 14.2 1.0
O B:HOH2309 2.2 12.5 1.0
O B:HOH2308 2.2 11.8 1.0
OE1 B:GLU153 2.2 11.3 1.0
CG B:ASP151 3.0 11.5 1.0
CD B:GLU153 3.2 9.6 1.0
CD B:GLU222 3.2 7.0 1.0
OD1 B:ASP151 3.2 13.3 1.0
OE2 B:GLU153 3.5 12.2 1.0
OE1 B:GLU222 3.6 7.3 1.0
O B:HOH2149 3.9 20.3 1.0
ND2 B:ASN218 4.1 7.7 1.0
OG B:SER152 4.2 11.4 1.0
CG B:GLU222 4.4 4.8 1.0
CB B:ASP151 4.4 9.7 1.0
O B:HOH2313 4.5 15.9 1.0
CG B:GLU153 4.5 7.5 1.0
NZ B:LYS219 4.6 6.2 1.0
N B:GLU153 4.7 7.1 1.0
NZ B:LYS128 4.7 23.1 1.0
N B:SER152 4.7 8.2 1.0
CB B:GLU153 4.8 6.7 1.0
O4 B:SO41391 4.9 15.4 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: Sat Oct 5 15:29:40 2024

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