Magnesium in PDB 5jxz: A Low Magnesium Structure of the Isochorismate Synthase, Entc

All present enzymatic activity of A Low Magnesium Structure of the Isochorismate Synthase, Entc:
5.4.4.2;

The structure of A Low Magnesium Structure of the Isochorismate Synthase, Entc, PDB code: 5jxz was solved by K.M.Meneely, J.A.Sundlov, A.M.Gulick, A.L.Lamb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.49 / 1.88
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.205, 80.205, 272.200, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.9

The binding sites of Magnesium atom in the A Low Magnesium Structure of the Isochorismate Synthase, Entc (pdb code 5jxz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the A Low Magnesium Structure of the Isochorismate Synthase, Entc, PDB code: 5jxz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the A Low Magnesium Structure of the Isochorismate Synthase, Entc


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Low Magnesium Structure of the Isochorismate Synthase, Entc within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:7.4 occ:1.00 O1 A:ISC402 1.8 22.0 0.5 O9 A:ISJ403 1.9 21.1 0.5 OE2 A:GLU241 1.9 22.8 1.0 OE2 A:GLU376 2.0 23.2 1.0 O A:HOH518 2.0 24.0 1.0 O A:HOH509 2.1 22.5 1.0 O8 A:ISJ403 2.4 20.8 0.5 O2 A:ISC402 2.4 21.2 0.5 C A:ISC402 2.5 21.6 0.5 C7 A:ISJ403 2.5 21.4 0.5 CD A:GLU241 2.9 23.8 1.0 CD A:GLU376 3.0 26.3 1.0 OE1 A:GLU376 3.2 23.7 1.0 OE1 A:GLU241 3.2 24.0 1.0 H A:GLY363 3.2 23.1 1.0 H A:GLY214 3.4 27.0 1.0 HZ1 A:LYS380 3.4 26.6 1.0 HZ3 A:LYS237 3.4 34.4 1.0 HG A:SER215 3.5 29.5 1.0 HA2 A:GLY214 3.7 22.8 1.0 HB1 A:ALA362 3.7 28.4 1.0 HB2 A:SER215 3.8 25.2 1.0 HZ1 A:LYS237 3.9 34.4 1.0 N A:GLY363 3.9 19.2 1.0 C3 A:ISJ403 4.0 20.4 0.5 C1 A:ISC402 4.0 20.8 0.5 HA A:ALA362 4.0 29.5 1.0 NZ A:LYS237 4.0 28.6 1.0 HZ2 A:LYS380 4.0 26.6 1.0 OG A:SER215 4.0 24.6 1.0 N A:GLY214 4.1 22.5 1.0 NZ A:LYS380 4.1 22.2 1.0 O A:HOH521 4.1 22.7 1.0 HZ2 A:LYS237 4.2 34.4 1.0 O A:GLY363 4.2 23.1 1.0 CA A:GLY214 4.3 19.0 1.0 CG A:GLU241 4.3 24.7 1.0 CG A:GLU376 4.4 20.2 1.0 H A:SER215 4.4 26.5 1.0 CB A:SER215 4.4 21.0 1.0 OE1 A:GLU373 4.4 24.6 1.0 HG2 A:GLU376 4.5 24.3 1.0 HA3 A:GLY363 4.5 21.2 1.0 N A:SER215 4.5 22.1 1.0 HG2 A:GLU241 4.5 29.7 1.0 CB A:ALA362 4.5 23.6 1.0 HZ3 A:LYS380 4.5 26.6 1.0 HG3 A:GLU241 4.6 29.7 1.0 H4 A:ISJ403 4.6 26.3 0.5 CA A:ALA362 4.6 24.6 1.0 C A:GLY214 4.6 22.1 1.0 CA A:GLY363 4.7 17.6 1.0 H2 A:ISC402 4.7 25.0 0.5 C A:ALA362 4.7 22.1 1.0 OD1 A:ASP238 4.8 24.9 1.0 HB2 A:ALA362 4.8 28.4 1.0 HG3 A:GLU376 4.8 24.3 1.0 C4 A:ISJ403 4.8 21.9 0.5 H6 A:ISC402 4.8 27.2 0.5 C2 A:ISC402 4.9 20.9 0.5 O A:HOH540 4.9 35.1 1.0 C A:GLY363 4.9 20.3 1.0 C2 A:ISJ403 5.0 20.9 0.5 C6 A:ISC402 5.0 22.6 0.5 HA A:ALA213 5.0 25.4 1.0

Magnesium binding site 2 out of 2 in the A Low Magnesium Structure of the Isochorismate Synthase, Entc


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Low Magnesium Structure of the Isochorismate Synthase, Entc within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:10.8 occ:1.00 O9 B:ISJ403 1.9 26.9 0.4 OE2 B:GLU241 1.9 25.4 1.0 OE2 B:GLU376 2.0 26.1 1.0 O B:HOH507 2.0 23.1 1.0 O B:HOH528 2.0 30.4 1.0 O1 B:ISC402 2.1 24.5 0.6 O8 B:ISJ403 2.2 24.7 0.4 O2 B:ISC402 2.4 26.0 0.6 C7 B:ISJ403 2.4 25.2 0.4 C B:ISC402 2.5 25.3 0.6 CD B:GLU241 2.9 27.6 1.0 CD B:GLU376 3.0 25.5 1.0 H B:GLY363 3.2 28.7 1.0 OE1 B:GLU241 3.2 30.6 1.0 OE1 B:GLU376 3.3 25.5 1.0 HZ1 B:LYS380 3.4 31.8 1.0 HG B:SER215 3.4 33.4 1.0 H B:GLY214 3.5 34.0 1.0 HZ3 B:LYS237 3.5 38.9 1.0 HB1 B:ALA362 3.7 31.0 1.0 HB2 B:SER215 3.8 34.4 1.0 C3 B:ISJ403 3.9 25.2 0.4 HA2 B:GLY214 3.9 34.4 1.0 O B:HOH502 3.9 26.7 1.0 N B:GLY363 3.9 23.9 1.0 OG B:SER215 4.0 27.8 1.0 HA B:ALA362 4.0 25.0 1.0 HZ2 B:LYS380 4.0 31.8 1.0 HZ1 B:LYS237 4.0 38.9 1.0 C1 B:ISC402 4.1 24.7 0.6 NZ B:LYS237 4.1 32.4 1.0 NZ B:LYS380 4.1 26.5 1.0 O B:GLY363 4.2 24.1 1.0 HZ2 B:LYS237 4.2 38.9 1.0 N B:GLY214 4.2 28.3 1.0 CG B:GLU241 4.3 33.5 1.0 CG B:GLU376 4.4 28.6 1.0 H B:SER215 4.4 32.7 1.0 CB B:SER215 4.4 28.7 1.0 HG2 B:GLU376 4.4 34.3 1.0 CB B:ALA362 4.4 25.8 1.0 CA B:GLY214 4.4 28.7 1.0 HG2 B:GLU241 4.5 40.2 1.0 HA3 B:GLY363 4.5 29.9 1.0 OE1 B:GLU373 4.5 25.7 1.0 N B:SER215 4.6 27.2 1.0 CA B:ALA362 4.6 20.9 1.0 H4 B:ISJ403 4.6 30.4 0.4 H2 B:ISC402 4.6 30.3 0.6 HG3 B:GLU241 4.6 40.2 1.0 HZ3 B:LYS380 4.6 31.8 1.0 CA B:GLY363 4.7 24.9 1.0 HB2 B:ALA362 4.7 31.0 1.0 C B:ALA362 4.7 22.7 1.0 OD1 B:ASP238 4.7 30.8 1.0 C B:GLY214 4.7 29.7 1.0 C4 B:ISJ403 4.8 25.3 0.4 H2 B:ISJ403 4.8 29.6 0.4 H6 B:ISC402 4.8 30.4 0.6 HG3 B:GLU376 4.9 34.3 1.0 C2 B:ISJ403 4.9 24.7 0.4 HE3 B:LYS380 4.9 30.9 1.0 C B:GLY363 4.9 22.5 1.0 C2 B:ISC402 4.9 25.2 0.6 C6 B:ISC402 5.0 25.3 0.6

K.M.Meneely, J.A.Sundlov, A.M.Gulick, G.R.Moran, A.L.Lamb. An Open and Shut Case: the Interaction of Magnesium with Mst Enzymes. J.Am.Chem.Soc. V. 138 9277 2016.
ISSN: ESSN 1520-5126
PubMed: 27373320
DOI: 10.1021/JACS.6B05134