Magnesium in PDB 2vkv: Tetr (Bd) Variant L17G with Reverse Phenotype

The structure of Tetr (Bd) Variant L17G with Reverse Phenotype, PDB code: 2vkv was solved by M.Resch, H.Striegl, E.M.Henssler, M.Sevvana, C.Egerer-Sieber, E.Schiltz, W.Hillen, Y.A.Muller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 1.74
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.650, 54.460, 56.850, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.5

The binding sites of Magnesium atom in the Tetr (Bd) Variant L17G with Reverse Phenotype (pdb code 2vkv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tetr (Bd) Variant L17G with Reverse Phenotype, PDB code: 2vkv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tetr (Bd) Variant L17G with Reverse Phenotype


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tetr (Bd) Variant L17G with Reverse Phenotype within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1207 b:22.6 occ:1.00 O11 A:TDC1206 2.0 24.4 1.0 O12 A:TDC1206 2.0 22.2 1.0 O A:HOH2078 2.0 22.9 1.0 O A:HOH2079 2.1 23.7 1.0 NE2 A:HIS100 2.3 23.1 1.0 C12 A:TDC1206 3.0 24.2 1.0 C11 A:TDC1206 3.1 24.4 1.0 CE1 A:HIS100 3.2 24.5 1.0 CD2 A:HIS100 3.3 23.3 1.0 C1B A:TDC1206 3.5 23.4 1.0 O10 A:TDC1206 4.0 23.4 1.0 O A:HOH2166 4.0 28.2 1.0 OG1 A:THR103 4.0 24.5 1.0 O A:THR103 4.1 25.6 1.0 C1A A:TDC1206 4.3 22.9 1.0 C1C A:TDC1206 4.3 24.6 1.0 O A:HOH2118 4.3 43.8 1.0 O1C A:TDC1206 4.4 24.2 1.0 ND1 A:HIS100 4.4 24.8 1.0 CG A:HIS100 4.4 25.1 1.0 C10 A:TDC1206 4.7 23.8 1.0 C A:THR103 4.8 26.1 1.0 C51 A:TDC1206 4.9 23.7 1.0 O1 A:TDC1206 4.9 26.9 1.0

Magnesium binding site 2 out of 2 in the Tetr (Bd) Variant L17G with Reverse Phenotype


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tetr (Bd) Variant L17G with Reverse Phenotype within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1208 b:50.9 occ:1.00 O A:HOH2128 1.9 51.9 1.0 O A:HOH2003 2.0 45.7 1.0 O A:HOH2071 2.2 53.7 1.0 O A:HOH2073 2.2 58.9 1.0 O A:HOH2072 2.2 47.8 1.0 O A:HOH2070 2.3 56.1 1.0 NH2 A:ARG94 3.9 44.7 1.0 OE2 A:GLU23 3.9 69.9 1.0 OD1 A:ASP95 4.1 39.2 1.0 OE2 A:GLU150 4.2 33.9 1.0 NZ A:LYS98 4.3 37.4 1.0 OE1 A:GLU150 4.3 39.9 1.0 OE1 A:GLU23 4.3 64.7 1.0 OD2 A:ASP95 4.3 40.3 1.0 NE A:ARG94 4.5 43.4 1.0 CD A:GLU23 4.5 66.9 1.0 CG A:ASP95 4.6 37.9 1.0 CZ A:ARG94 4.7 45.2 1.0 CD A:GLU150 4.7 35.5 1.0 O A:HOH2004 4.7 68.0 1.0 O A:HOH2037 4.8 42.6 1.0

M.Resch, H.Striegl, E.M.Henssler, M.Sevvana, C.Egerer-Sieber, E.Schiltz, W.Hillen, Y.A.Muller. A Protein Functional Leap: How A Single Mutation Reverses the Function of the Transcription Regulator Tetr. Nucleic Acids Res. V. 36 4390 2008.
ISSN: ISSN 0305-1048
PubMed: 18587152
DOI: 10.1093/NAR/GKN400