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Magnesium in PDB 7s04: 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion

Enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion

All present enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion:
1.1.1.267;

Protein crystallography data

The structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion, PDB code: 7s04 was solved by S.M.Noble, H.S.Ball, R.D.Couch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.92 / 2.52
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 66.572, 118.251, 53.911, 90, 90, 90
R / Rfree (%) 23 / 24.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion (pdb code 7s04). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion, PDB code: 7s04:

Magnesium binding site 1 out of 1 in 7s04

Go back to Magnesium Binding Sites List in 7s04
Magnesium binding site 1 out of 1 in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Ispc) From Acinetobacter Baumannii in Complex with FR900098, Nadph, and A Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:14.6
occ:1.00
 OE2 A:GLU239 1.9 17.7 1.0
O2 A:F98501 2.0 14.0 1.0
OE1 A:GLU161 2.0 16.8 1.0
O1 A:F98501 2.1 13.7 1.0
OD1 A:ASP159 2.3 15.3 1.0
N1 A:F98501 2.6 17.1 1.0
C1 A:F98501 2.7 16.6 1.0
HO2 A:F98501 2.7 16.8 1.0
CD A:GLU161 2.8 16.3 1.0
CD A:GLU239 2.9 16.9 1.0
OE2 A:GLU161 3.0 18.2 1.0
CG A:ASP159 3.2 15.1 1.0
OE1 A:GLU239 3.3 17.6 1.0
H4A A:F98501 3.7 25.9 1.0
OD2 A:ASP159 3.7 15.2 1.0
NZ A:LYS134 3.8 17.9 1.0
N A:SER160 3.9 14.0 1.0
OG A:SER160 4.0 15.1 1.0
C2 A:F98501 4.0 19.3 1.0
C5N A:NDP503 4.1 18.3 1.0
H3A A:F98501 4.1 25.0 1.0
C11 A:F98501 4.2 17.4 1.0
CG A:GLU239 4.2 16.6 1.0
N A:GLU161 4.2 14.9 1.0
CG A:GLU161 4.3 16.4 1.0
CB A:ASP159 4.3 14.7 1.0
ND2 A:ASN235 4.4 17.9 1.0
C3 A:F98501 4.4 20.8 1.0
H11A A:F98501 4.5 20.9 1.0
C A:ASP159 4.5 14.4 1.0
H11 A:F98501 4.5 20.9 1.0
C4 A:F98501 4.5 21.6 1.0
H2A A:F98501 4.5 23.1 1.0
CA A:ASP159 4.5 14.3 1.0
H2 A:F98501 4.5 23.1 1.0
CB A:GLU161 4.7 15.9 1.0
NZ A:LYS236 4.7 16.9 1.0
CB A:SER160 4.7 14.6 1.0
CA A:SER160 4.7 14.2 1.0
H11B A:F98501 4.7 20.9 1.0
OD1 A:ASN235 4.9 18.0 1.0
C4N A:NDP503 5.0 18.6 1.0

Reference:

H.S.Ball, M.B.Girma, M.Zainab, I.Soojhawon, R.D.Couch, S.M.Noble. Characterization and Inhibition of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter Baumannii and Klebsiella Pneumoniae . Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
PubMed: 34672535
DOI: 10.1021/ACSINFECDIS.1C00132
Page generated: Thu Oct 3 08:09:48 2024

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