Magnesium in PDB 4aci: Structure of the C. Glutamicum Acnr Crystal Form II

The structure of Structure of the C. Glutamicum Acnr Crystal Form II, PDB code: 4aci was solved by J.Garcia-Nafria, M.Baumgart, J.P.Turkenburg, A.J.Wilkinson, M.Bott, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.79 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.210, 72.790, 145.570, 90.00, 90.00, 90.00
R / Rfree (%)	14.154 / 20.488

The structure of Structure of the C. Glutamicum Acnr Crystal Form II also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Structure of the C. Glutamicum Acnr Crystal Form II (pdb code 4aci). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the C. Glutamicum Acnr Crystal Form II, PDB code: 4aci:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the C. Glutamicum Acnr Crystal Form II


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the C. Glutamicum Acnr Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1187 b:13.9 occ:1.00 O3 A:CIT1189 2.0 15.8 1.0 O A:HOH2097 2.1 12.6 1.0 O A:HOH2098 2.1 16.9 1.0 OE2 A:GLU181 2.1 16.0 1.0 O5 A:CIT1189 2.1 11.8 1.0 O7 A:CIT1189 2.2 11.6 1.0 C6 A:CIT1189 2.9 10.2 1.0 C3 A:CIT1189 2.9 11.1 1.0 C5 A:CIT1189 3.0 14.2 1.0 CD A:GLU181 3.2 28.5 1.0 C4 A:CIT1189 3.5 15.5 1.0 CG A:GLU181 3.8 27.9 1.0 NH2 A:ARG185 3.9 23.7 1.0 O6 A:CIT1189 4.0 12.2 1.0 O A:ASN77 4.1 10.2 1.0 O1 A:CIT1189 4.1 11.6 1.0 O A:HOH2099 4.1 21.7 1.0 O A:HOH2163 4.1 25.9 1.0 O4 A:CIT1189 4.2 18.7 1.0 OE1 A:GLU181 4.2 28.1 1.0 OD1 A:ASN77 4.2 14.0 1.0 C2 A:CIT1189 4.3 12.2 1.0 NH2 A:ARG130 4.5 13.4 1.0 CG A:ASN77 4.5 10.2 1.0 ND2 A:ASN77 4.6 14.2 1.0 C1 A:CIT1189 4.6 13.1 1.0 CB A:VAL80 4.7 13.2 1.0 CB A:GLU181 4.7 18.6 1.0 C A:ASN77 4.8 8.6 1.0 CZ A:ARG185 4.9 25.6 1.0 CG1 A:VAL80 4.9 13.9 1.0

Magnesium binding site 2 out of 2 in the Structure of the C. Glutamicum Acnr Crystal Form II


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the C. Glutamicum Acnr Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1189 b:13.5 occ:1.00 OE2 B:GLU181 1.9 17.5 1.0 O1 B:CIT1190 2.1 12.2 1.0 O B:HOH2055 2.1 13.0 1.0 O B:HOH2056 2.1 15.1 1.0 O5 B:CIT1190 2.1 12.2 1.0 O7 B:CIT1190 2.2 9.7 1.0 C6 B:CIT1190 2.9 12.0 1.0 CD B:GLU181 2.9 21.3 1.0 C3 B:CIT1190 2.9 11.1 1.0 C1 B:CIT1190 3.1 13.8 1.0 CG B:GLU181 3.3 21.4 1.0 C2 B:CIT1190 3.5 14.3 1.0 NH2 B:ARG185 3.9 25.0 1.0 OE1 B:GLU181 4.0 22.0 1.0 O B:ASN77 4.1 11.6 1.0 O4 B:CIT1190 4.1 11.0 1.0 O6 B:CIT1190 4.1 12.7 1.0 O B:HOH2057 4.1 17.9 1.0 OD1 B:ASN77 4.1 14.2 1.0 O2 B:CIT1190 4.2 19.1 1.0 O B:HOH2138 4.2 24.8 1.0 C4 B:CIT1190 4.3 11.7 1.0 NH2 B:ARG130 4.5 15.0 1.0 CG B:ASN77 4.6 13.8 1.0 C5 B:CIT1190 4.6 10.8 1.0 ND2 B:ASN77 4.7 13.6 1.0 CB B:VAL80 4.7 11.8 1.0 CB B:GLU181 4.8 19.3 1.0 C B:ASN77 4.8 9.4 1.0 CZ B:ARG185 4.9 25.3 1.0

J.Garcia-Nafria, M.Baumgart, J.P.Turkenburg, A.J.Wilkinson, M.Bott, K.S.Wilson. Crystal and Solution Studies Reveal That the Transcriptional Regulator Acnr of Corynebacterium Glutamicum Is Regulated By Citrate:MG2+ Binding to A Non- Canonical Pocket. J.Biol.Chem. V. 288 15800 2013.
ISSN: ISSN 0021-9258
PubMed: 23589369
DOI: 10.1074/JBC.M113.462440