Magnesium in PDB 5cyv: Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa

The structure of Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa, PDB code: 5cyv was solved by P.J.Stogios, X.Xu, A.Dong, A.Savchenko, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.79 / 1.52
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.145, 134.385, 73.336, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.2

The structure of Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa (pdb code 5cyv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa, PDB code: 5cyv:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa


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 Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:21.2 occ:0.63 O A:HOH361 2.1 27.0 1.0 OE2 A:GLU78 2.3 29.3 1.0 CD A:GLU78 3.3 37.5 1.0 OE1 A:GLU78 3.7 34.5 1.0 OE1 A:GLU75 4.0 37.3 1.0 O A:HOH369 4.1 25.2 1.0 O A:HOH352 4.2 27.0 1.0 O A:HOH460 4.4 31.0 1.0 CG A:GLU78 4.7 35.6 1.0 CD A:GLU75 4.7 44.3 1.0 OE2 A:GLU75 4.9 58.7 1.0 O A:HOH385 5.0 34.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:21.0 occ:0.59 OAM B:WCA201 2.0 28.7 1.0 O B:HOH523 2.1 32.6 1.0 O B:HOH415 2.1 38.3 1.0 O B:HOH370 2.1 31.7 1.0 O B:HOH427 2.1 37.9 1.0 PCE B:WCA201 3.3 25.8 1.0 OAG B:WCA201 3.5 27.5 1.0 O B:HOH378 3.9 34.4 1.0 O B:HOH346 4.0 38.1 1.0 C3' B:WCA201 4.1 21.0 1.0 O3' B:WCA201 4.2 21.9 1.0 O B:HOH437 4.3 39.6 1.0 OAN B:WCA201 4.4 27.8 1.0 OAO B:WCA201 4.6 24.6 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Cour From Rhodococcus Jostii RHA1 Bound to P- Coumaroyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:22.5 occ:0.72 OAI B:WCA202 2.0 28.5 1.0 OAO B:WCA202 2.0 29.3 1.0 OAN B:WCA201 2.1 27.8 1.0 O B:HOH371 2.1 35.7 1.0 O B:HOH349 2.1 31.8 1.0 O B:HOH378 2.1 34.4 1.0 PCG B:WCA202 3.2 26.6 1.0 PCF B:WCA202 3.3 27.1 1.0 PCE B:WCA201 3.3 25.8 1.0 OBN B:WCA202 3.5 26.0 1.0 OAM B:WCA201 3.7 28.7 1.0 OBK B:WCA202 3.8 25.5 1.0 O B:HOH409 4.0 26.6 1.0 O B:HOH368 4.1 25.0 1.0 O B:HOH453 4.2 44.0 1.0 O5' B:WCA202 4.2 34.6 1.0 O B:HOH535 4.2 52.7 1.0 OAG B:WCA201 4.2 27.5 1.0 O B:HOH431 4.4 47.8 1.0 O3' B:WCA201 4.4 21.9 1.0 OAP B:WCA202 4.5 32.3 1.0 OAH B:WCA202 4.5 28.4 1.0 NH2 A:ARG36 4.8 36.8 1.0 O A:HOH431 4.9 54.1 1.0

H.Otani, P.J.Stogios, X.Xu, B.Nocek, S.N.Li, A.Savchenko, L.D.Eltis. The Activity of Cour, A Marr Family Transcriptional Regulator, Is Modulated Through A Novel Molecular Mechanism. Nucleic Acids Res. V. 44 595 2016.
ISSN: ESSN 1362-4962
PubMed: 26400178
DOI: 10.1093/NAR/GKV955