Magnesium in PDB 2fn1: Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate

The structure of Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate, PDB code: 2fn1 was solved by O.Kerbarh, D.Y.Chirgadze, T.L.Blundell, C.Abell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.37 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.571, 145.298, 58.860, 90.00, 108.39, 90.00
R / Rfree (%)	18.8 / 24.5

The binding sites of Magnesium atom in the Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate (pdb code 2fn1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate, PDB code: 2fn1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:29.5 occ:1.00 O A:HOH593 1.9 27.5 1.0 O A:HOH592 2.0 24.8 1.0 OE2 A:GLU284 2.2 30.6 1.0 O2' A:SAL506 2.2 29.6 1.0 O1' A:SAL506 2.2 29.1 1.0 OE2 A:GLU420 2.3 22.2 1.0 C1' A:SAL506 2.6 29.4 1.0 CD A:GLU420 3.1 24.5 1.0 CD A:GLU284 3.2 29.1 1.0 OE1 A:GLU420 3.3 28.9 1.0 OE1 A:GLU284 3.4 33.0 1.0 N A:GLY257 4.0 22.0 1.0 N A:GLY407 4.0 20.8 1.0 C1 A:SAL506 4.1 26.1 1.0 OG1 A:THR258 4.1 20.9 1.0 O A:HOH538 4.2 34.6 1.0 NZ A:LYS280 4.2 30.3 1.0 OE1 A:GLU281 4.2 28.7 1.0 CA A:GLY257 4.3 21.8 1.0 O A:GLY407 4.3 25.2 1.0 NZ A:LYS424 4.3 26.6 1.0 N A:THR258 4.3 23.4 1.0 CB A:THR258 4.4 20.8 1.0 OE1 A:GLU417 4.5 24.3 1.0 C A:GLY257 4.6 25.1 1.0 CG A:GLU284 4.6 31.2 1.0 O A:HOH594 4.6 23.4 1.0 CG A:GLU420 4.6 21.7 1.0 CA A:GLY407 4.6 23.6 1.0 O2 A:SAL506 4.8 35.7 1.0 CA A:ALA406 4.9 23.2 1.0 C6 A:SAL506 4.9 30.3 1.0 C A:GLY407 4.9 23.7 1.0 C A:ALA406 5.0 24.8 1.0 C2 A:SAL506 5.0 34.2 1.0 CB A:ALA406 5.0 18.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of Yersinia Enterocolitica Salicylate Synthase (IRP9) in Complex with the Reaction Products Salicylate and Pyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:22.4 occ:1.00 O B:HOH568 2.0 23.0 1.0 O B:HOH569 2.1 27.5 1.0 OE2 B:GLU420 2.1 24.8 1.0 O2' B:SAL503 2.2 26.7 1.0 OE2 B:GLU284 2.3 27.8 1.0 O1' B:SAL503 2.3 26.4 1.0 C1' B:SAL503 2.6 27.0 1.0 CD B:GLU420 3.1 23.2 1.0 CD B:GLU284 3.1 30.7 1.0 OE1 B:GLU284 3.3 28.5 1.0 OE1 B:GLU420 3.3 24.4 1.0 N B:GLY407 4.1 22.0 1.0 C1 B:SAL503 4.1 23.0 1.0 OG1 B:THR258 4.1 21.9 1.0 O B:HOH572 4.1 21.6 1.0 NZ B:LYS280 4.2 24.6 1.0 OE1 B:GLU281 4.2 24.2 1.0 N B:GLY257 4.2 24.6 1.0 O B:GLY407 4.2 23.8 1.0 CA B:GLY257 4.3 20.5 1.0 OE1 B:GLU417 4.3 21.5 1.0 NZ B:LYS424 4.3 23.8 1.0 N B:THR258 4.3 22.9 1.0 CG B:GLU420 4.4 20.8 1.0 CG B:GLU284 4.5 30.3 1.0 CB B:THR258 4.5 23.2 1.0 C B:GLY257 4.6 26.9 1.0 O B:HOH573 4.6 30.4 1.0 CA B:GLY407 4.7 21.3 1.0 CB B:ALA406 4.8 25.7 1.0 O2 B:SAL503 4.9 37.9 1.0 CA B:ALA406 4.9 25.8 1.0 C6 B:SAL503 4.9 24.1 1.0 C B:GLY407 4.9 26.5 1.0 C B:ALA406 5.0 24.4 1.0

O.Kerbarh, D.Y.Chirgadze, T.L.Blundell, C.Abell. Crystal Structures of Yersinia Enterocolitica Salicylate Synthase and Its Complex with the Reaction Products Salicylate and Pyruvate. J.Mol.Biol. V. 357 524 2006.
ISSN: ISSN 0022-2836
PubMed: 16434053
DOI: 10.1016/J.JMB.2005.12.078