Magnesium in PDB 7ojp: Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1

Enzymatic activity of Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1

All present enzymatic activity of Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1:
2.3.1.129;

Protein crystallography data

The structure of Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1, PDB code: 7ojp was solved by M.D.Ryan, A.L.Parkes, M.Southey, O.A.Andersen, M.Zahn, J.Barker, B.L.M.Dejonge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 105.72 / 2.84
Space group C 2 2 21 2
Cell size a, b, c (Å), α, β, γ (°) 245.627, 367.548, 370.677, 90, 90, 90
R / Rfree (%) 20.3 / 21.6

Other elements in 7ojp:

The structure of Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1 also contains other interesting chemical elements:

Chlorine (Cl) 30 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1 (pdb code 7ojp). 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 Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1, PDB code: 7ojp:

Magnesium binding site 1 out of 1 in 7ojp

Go back to Magnesium Binding Sites List in 7ojp
Magnesium binding site 1 out of 1 in the Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Pseudomonas Aeruginosa Lpxa in Complex with Compound 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1002

b:58.5
occ:1.00
 O D:PRO12 2.3 61.6 1.0
C D:PRO12 3.1 60.2 1.0
O D:ALA14 3.3 70.9 1.0
CA D:PRO12 3.5 59.2 1.0
O D:ASP11 3.7 53.5 1.0
N D:SER13 4.2 60.5 1.0
N D:ALA14 4.4 60.6 1.0
C D:ALA14 4.4 62.3 1.0
N D:PRO12 4.5 56.6 1.0
C D:ASP11 4.5 54.3 1.0
O D:HOH1105 4.6 35.1 1.0
CB D:PRO12 4.7 61.1 1.0
CA D:SER13 4.8 61.7 1.0
C D:SER13 4.9 60.2 1.0
CA D:ALA14 4.9 59.5 1.0

Reference:

M.D.Ryan, A.L.Parkes, D.Corbett, A.P.Dickie, M.Southey, O.A.Andersen, D.B.Stein, O.R.Barbeau, A.Sanzone, P.Thommes, J.Barker, R.Cain, C.Compper, M.Dejob, A.Dorali, D.Etheridge, S.Evans, A.Faulkner, E.Gadouleau, T.Gorman, D.Haase, M.Holbrow-Wilshaw, T.Krulle, X.Li, C.Lumley, B.Mertins, S.Napier, R.Odedra, K.Papadopoulos, V.Roumpelakis, K.Spear, E.Trimby, J.Williams, M.Zahn, A.D.Keefe, Y.Zhang, H.T.Soutter, P.A.Centrella, M.A.Clark, J.W.Cuozzo, C.E.Dumelin, B.Deng, A.Hunt, E.A.Sigel, D.M.Troast, B.L.M.Dejonge. Discovery of Novel Udp- N -Acetylglucosamine Acyltransferase (Lpxa) Inhibitors with Activity Against Pseudomonas Aeruginosa . J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34569791
DOI: 10.1021/ACS.JMEDCHEM.1C00888
Page generated: Thu Oct 3 03:07:44 2024

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