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: Fri Nov 5 15:34:29 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy