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Magnesium in PDB 4h8e: Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate

Enzymatic activity of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate

All present enzymatic activity of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate:
2.5.1.31;

Protein crystallography data

The structure of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate, PDB code: 4h8e was solved by W.Zhu, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.64 / 1.30
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.303, 57.303, 158.824, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate (pdb code 4h8e). 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 Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate, PDB code: 4h8e:

Magnesium binding site 1 out of 1 in 4h8e

Go back to Magnesium Binding Sites List in 4h8e
Magnesium binding site 1 out of 1 in the Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fpp and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:8.5
occ:1.00
O3B A:FPP302 2.0 9.3 1.0
O2A A:FPP302 2.0 10.0 1.0
O A:HOH425 2.1 9.7 1.0
O A:HOH432 2.1 10.8 1.0
OD1 A:ASP33 2.1 8.5 1.0
CG A:ASP33 3.1 8.7 1.0
PA A:FPP302 3.2 8.8 1.0
PB A:FPP302 3.2 8.4 1.0
OD2 A:ASP33 3.5 8.5 1.0
O3A A:FPP302 3.5 9.3 1.0
NH2 A:ARG37 3.9 9.9 1.0
O1 A:FPP302 4.0 10.1 1.0
O A:HOH431 4.0 13.2 1.0
O2B A:FPP302 4.0 8.7 1.0
O3 A:SO4303 4.0 12.6 1.0
NH1 A:ARG84 4.1 9.9 1.0
C1 A:FPP302 4.2 12.8 1.0
CB A:ASP33 4.4 8.4 1.0
O1A A:FPP302 4.5 8.9 1.0
O1B A:FPP302 4.5 9.5 1.0
N A:GLY34 4.6 7.9 1.0
O1 A:SO4303 4.6 11.7 1.0
NH2 A:ARG201 4.7 8.8 1.0
CA A:ASP33 4.8 8.2 1.0
O A:HOH527 4.8 24.2 1.0
S A:SO4303 4.9 9.2 1.0

Reference:

W.Zhu, Y.Zhang, W.Sinko, M.E.Hensler, J.Olson, K.J.Molohon, S.Lindert, R.Cao, K.Li, K.Wang, Y.Wang, Y.L.Liu, A.Sankovsky, C.A.De Oliveira, D.A.Mitchell, V.Nizet, J.A.Mccammon, E.Oldfield. Antibacterial Drug Leads Targeting Isoprenoid Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 110 123 2013.
ISSN: ISSN 0027-8424
PubMed: 23248302
DOI: 10.1073/PNAS.1219899110
Page generated: Mon Dec 14 17:18:58 2020

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