Magnesium in PDB 7oc0: Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid

Enzymatic activity of Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid

All present enzymatic activity of Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid:
2.3.1.179;

Protein crystallography data

The structure of Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid, PDB code: 7oc0 was solved by C.Georgiou, R.Brenk, L.O.Espeland, R.Klein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.50 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.709, 84.054, 137.715, 90, 90, 90
R / Rfree (%) 15.4 / 18.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid (pdb code 7oc0). 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 Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid, PDB code: 7oc0:

Magnesium binding site 1 out of 1 in 7oc0

Go back to Magnesium Binding Sites List in 7oc0
Magnesium binding site 1 out of 1 in the Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Pseudomonas Aeruginosa Fabf Mutant C164Q in Complex with A Ligand (2S,4R)-2-(Thiophen-2-Yl)Thiazolidine-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:29.3
occ:1.00
 O A:SER337 2.6 17.6 1.0
OG A:SER33 2.8 18.0 1.0
O A:THR217 2.8 19.4 1.0
O A:HOH661 2.8 17.9 1.0
CB A:SER33 3.3 18.7 1.0
C A:THR217 3.6 20.2 1.0
C A:SER337 3.8 15.5 1.0
CG1 A:ILE35 3.8 18.6 1.0
ND2 A:ASN368 3.8 18.1 1.0
CD1 A:ILE367 3.9 19.9 1.0
CA A:THR217 3.9 19.4 1.0
CA A:MET338 4.0 16.8 1.0
CA A:SER33 4.1 20.0 1.0
O A:MET338 4.2 20.3 1.0
N A:MET338 4.3 14.8 1.0
CB A:ILE35 4.4 17.5 1.0
C A:MET338 4.4 17.7 1.0
CB A:SER220 4.5 19.1 1.0
O A:SER220 4.5 17.2 1.0
CB A:THR217 4.6 22.2 1.0
O A:PRO216 4.6 20.3 1.0
CG1 A:ILE367 4.7 18.9 1.0
N A:ARG218 4.7 21.2 1.0
N A:SER220 4.8 18.1 1.0
CA A:SER337 5.0 15.6 1.0

Reference:

L.O.Espeland, C.Georgiou, R.Klein, H.Bhukya, B.E.Haug, J.Underhaug, P.S.Mainkar, R.Brenk. An Experimental Toolbox For Structure-Based Hit Discovery For P. Aeruginosa Fabf, A Promising Target For Antibiotics. Chemmedchem 2021.
ISSN: ESSN 1860-7187
PubMed: 34189850
DOI: 10.1002/CMDC.202100302
Page generated: Fri Sep 24 15:33:36 2021

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