Magnesium in PDB 8w71: Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1

The structure of Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1, PDB code: 8w71 was solved by Z.H.Su, Z.H.Ming, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.03 / 2.12
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.103, 73.901, 103.784, 70.84, 84.46, 90.02
R / Rfree (%)	18 / 21

The binding sites of Magnesium atom in the Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1 (pdb code 8w71). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1, PDB code: 8w71:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:42.5 occ:1.00 O A:HOH853 2.2 53.1 1.0 O A:HOH844 2.4 39.1 1.0 O A:GLY532 2.5 27.2 1.0 OE2 A:GLU542 2.7 36.2 1.0 O A:HOH719 2.8 35.3 1.0 OE1 A:GLU542 3.1 41.2 1.0 CD A:GLU542 3.2 36.9 1.0 O2 A:FMT603 3.4 39.9 1.0 C A:GLY532 3.6 23.5 1.0 OG A:SER537 3.9 27.9 1.0 N A:GLY532 4.1 23.3 1.0 CA A:GLY532 4.3 22.7 1.0 OE1 A:GLU545 4.4 29.9 1.0 OE2 A:GLU545 4.5 38.7 1.0 CG A:GLU542 4.5 35.0 1.0 CB A:THR531 4.6 26.9 1.0 C A:FMT603 4.6 43.1 1.0 O1 A:FMT603 4.7 44.3 1.0 O A:HOH890 4.7 32.8 1.0 N A:ILE533 4.7 21.4 1.0 OG1 A:THR531 4.7 24.6 1.0 CB A:SER537 4.9 26.6 1.0 O9 A:ISJ601 4.9 31.2 0.9 CD A:GLU545 4.9 37.3 1.0 C A:THR531 4.9 23.2 1.0 CA A:ILE533 4.9 22.9 1.0

Magnesium binding site 2 out of 2 in the Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate Synthase ICS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:42.5 occ:1.00 O B:HOH739 2.3 37.4 1.0 O B:GLY532 2.4 27.9 1.0 OE1 B:GLU542 2.5 38.3 1.0 O B:HOH989 2.8 53.6 1.0 O B:HOH714 2.8 37.6 1.0 CD B:GLU542 3.2 35.5 1.0 OE2 B:GLU542 3.2 36.9 1.0 C B:GLY532 3.4 24.8 1.0 O2 B:FMT603 3.6 37.9 1.0 N B:GLY532 3.8 27.7 1.0 CA B:GLY532 4.0 26.0 1.0 OG B:SER537 4.0 30.2 1.0 OE2 B:GLU545 4.2 40.5 1.0 CB B:THR531 4.2 30.7 1.0 OE1 B:GLU545 4.3 33.4 1.0 N B:ILE533 4.5 27.5 1.0 CG B:GLU542 4.5 35.4 1.0 OG1 B:THR531 4.5 28.4 1.0 C B:THR531 4.6 26.2 1.0 CD B:GLU545 4.7 40.4 1.0 O8 B:ISJ601 4.7 33.9 0.9 C B:FMT603 4.8 42.4 1.0 O1 B:FMT603 4.8 47.1 1.0 O9 B:ISJ601 4.8 30.6 0.9 CA B:ILE533 4.9 26.6 1.0 CA B:THR531 4.9 28.5 1.0 O B:HOH879 4.9 37.1 1.0 CB B:SER537 5.0 29.0 1.0

Z.Su, C.Niu, S.Zhou, G.Xu, P.Zhu, Q.Fu, Y.Zhang, Z.Ming. Structural Basis of Chorismate Isomerization By Arabidopsis Isochorismate SYNTHASE1. Plant Physiol. 2024.
ISSN: ESSN 1532-2548
PubMed: 38701037
DOI: 10.1093/PLPHYS/KIAE260