Magnesium in PDB 4qht: Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State

The structure of Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State, PDB code: 4qht was solved by S.Dey, M.Biswas, U.Sen, J.Dasgupta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.959, 152.560, 193.138, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 24.7

The binding sites of Magnesium atom in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State (pdb code 4qht). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State, PDB code: 4qht:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


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 Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:66.8 occ:1.00 O A:HOH531 2.1 69.0 1.0 OD2 A:ASP230 2.4 89.9 1.0 O1G A:ANP401 2.5 60.9 1.0 O A:HOH547 2.9 75.6 1.0 ND2 A:ASN187 3.3 91.7 1.0 CG A:ASP230 3.4 80.7 1.0 PG A:ANP401 3.7 53.7 1.0 O2G A:ANP401 3.8 0.2 1.0 OD1 A:ASP230 3.9 85.1 1.0 CG A:GLU231 4.3 86.7 1.0 O1B A:ANP401 4.4 37.9 1.0 OD1 A:ASN272 4.5 79.6 1.0 CG A:ASN187 4.6 94.9 1.0 CB A:ASP230 4.7 68.3 1.0 N3B A:ANP401 4.7 70.8 1.0 OG1 A:THR270 4.8 46.5 1.0 O3G A:ANP401 4.8 72.8 1.0 O B:HOH536 4.9 53.6 1.0 NZ A:LYS165 4.9 44.2 1.0

Magnesium binding site 2 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


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 Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:86.3 occ:1.00 O B:HOH501 2.1 64.9 1.0 OD2 B:ASP230 2.1 93.0 1.0 O1G B:ANP401 2.1 0.8 1.0 OE2 B:GLU231 2.8 0.6 1.0 CG B:ASP230 3.2 86.3 1.0 PG B:ANP401 3.4 0.3 1.0 OD1 B:ASP230 3.6 88.8 1.0 CG B:GLU231 3.6 82.8 1.0 CD B:GLU231 3.6 99.8 1.0 O B:HOH543 3.6 61.1 1.0 O2G B:ANP401 3.9 83.5 1.0 O3G B:ANP401 4.0 37.4 1.0 ND2 B:ASN187 4.2 0.6 1.0 O1B B:ANP401 4.3 65.0 1.0 OD1 B:ASN187 4.5 0.7 1.0 CB B:ASP230 4.5 71.9 1.0 CG B:ASN187 4.6 98.4 1.0 OG1 B:THR270 4.7 49.7 1.0 OE1 B:GLU231 4.8 1.0 1.0 N3B B:ANP401 4.8 45.7 1.0 OD1 B:ASN272 4.8 83.6 1.0 N B:GLU231 4.9 49.2 1.0 CB B:GLU231 5.0 64.3 1.0

Magnesium binding site 3 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


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 Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:94.9 occ:1.00 O C:HOH551 2.1 69.4 1.0 OD2 C:ASP230 2.2 92.4 1.0 O3G C:ANP401 2.3 77.6 1.0 ND2 C:ASN187 3.0 0.0 1.0 CG C:ASP230 3.1 89.7 1.0 OD1 C:ASP230 3.3 99.9 1.0 OE2 C:GLU231 3.4 0.6 1.0 CG C:GLU231 3.8 95.0 1.0 PG C:ANP401 3.8 73.6 1.0 CG C:ASN187 4.0 1.0 1.0 CD C:GLU231 4.1 0.1 1.0 O1G C:ANP401 4.2 73.9 1.0 O1B C:ANP401 4.2 44.2 1.0 OD1 C:ASN187 4.3 0.9 1.0 CB C:ASP230 4.5 72.9 1.0 N3B C:ANP401 4.7 35.8 1.0 O2G C:ANP401 4.8 0.2 1.0

Magnesium binding site 4 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:0.2 occ:1.00 O1G D:ANP401 1.7 96.5 1.0 O D:HOH538 2.3 68.8 1.0 OD1 D:ASP230 2.7 90.1 1.0 PG D:ANP401 3.2 92.4 1.0 OD2 D:ASP230 3.4 88.5 1.0 O1B D:ANP401 3.4 46.5 1.0 CG D:ASP230 3.4 85.7 1.0 O3G D:ANP401 3.8 61.3 1.0 O2G D:ANP401 4.0 60.5 1.0 OG1 D:THR270 4.1 49.2 1.0 N3B D:ANP401 4.3 42.6 1.0 ND2 D:ASN187 4.3 97.5 1.0 PB D:ANP401 4.3 43.0 1.0 ND2 D:ASN272 4.3 75.3 1.0 CE D:LYS165 4.4 35.9 1.0 NZ D:LYS165 4.7 39.5 1.0 O2B D:ANP401 4.8 55.1 1.0 CB D:ASP230 4.8 73.6 1.0 CB D:THR270 4.9 40.9 1.0

Magnesium binding site 5 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg402 b:73.1 occ:1.00 O E:HOH510 2.1 63.5 1.0 O1G E:ANP401 2.1 69.1 1.0 OD1 E:ASP230 2.4 91.0 1.0 CG E:ASP230 3.1 84.5 1.0 OD2 E:ASP230 3.2 93.1 1.0 ND2 E:ASN187 3.5 82.4 1.0 PG E:ANP401 3.5 61.1 1.0 O1B E:ANP401 3.9 42.5 1.0 O2G E:ANP401 3.9 99.9 1.0 O E:HOH564 3.9 70.6 1.0 O E:HOH549 4.0 73.9 1.0 CG E:GLU231 4.1 0.0 1.0 ND2 E:ASN272 4.4 78.0 1.0 CB E:ASP230 4.4 71.5 1.0 OG1 E:THR270 4.4 48.6 1.0 O3G E:ANP401 4.5 70.7 1.0 CG E:ASN187 4.5 82.8 1.0 NZ E:LYS165 4.6 49.3 1.0 N3B E:ANP401 4.7 51.3 1.0 OD1 E:ASN187 4.7 77.4 1.0 CB E:GLU231 4.8 81.8 1.0 N E:GLU231 4.8 62.4 1.0 PB E:ANP401 4.9 42.4 1.0

Magnesium binding site 6 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg402 b:0.9 occ:1.00 O1G F:ANP401 2.0 0.6 1.0 O F:HOH530 2.1 88.1 1.0 O F:HOH522 2.1 79.9 1.0 OD2 F:ASP230 2.2 0.4 1.0 CG F:ASP230 3.2 0.5 1.0 PG F:ANP401 3.3 94.6 1.0 OD1 F:ASP230 3.6 0.7 1.0 O1B F:ANP401 3.7 47.0 1.0 O2G F:ANP401 3.7 74.6 1.0 O F:HOH531 4.0 63.8 1.0 ND2 F:ASN187 4.1 95.3 1.0 CG2 F:THR270 4.1 51.9 1.0 O3G F:ANP401 4.3 48.0 1.0 N3B F:ANP401 4.4 48.1 1.0 CB F:ASP230 4.5 83.6 1.0 ND2 F:ASN272 4.5 92.7 1.0 PB F:ANP401 4.6 48.0 1.0 CG F:GLU231 4.7 82.0 1.0 CE F:LYS165 4.8 54.0 1.0

Magnesium binding site 7 out of 7 in the Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Aaa+/ Sigma 54 Activator Domain of the Flagellar Regulatory Protein Flrc From Vibrio Cholerae in Atp Analog Bound State within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg402 b:86.7 occ:1.00 O G:HOH534 2.1 76.6 1.0 O3G G:ANP401 2.1 68.5 1.0 OD2 G:ASP230 2.6 89.2 1.0 OD1 G:ASP230 2.9 85.7 1.0 CG G:ASP230 3.1 79.9 1.0 O G:HOH546 3.2 79.6 1.0 PG G:ANP401 3.3 88.2 1.0 O1G G:ANP401 3.4 90.8 1.0 O1B G:ANP401 3.5 46.7 1.0 ND2 G:ASN187 3.8 86.8 1.0 OG1 G:THR270 4.2 53.1 1.0 OE2 G:GLU231 4.3 0.9 1.0 N3B G:ANP401 4.4 66.5 1.0 PB G:ANP401 4.5 41.8 1.0 O2G G:ANP401 4.5 81.7 1.0 CB G:ASP230 4.6 59.3 1.0 CG G:ASN187 4.7 86.6 1.0 OD1 G:ASN187 4.8 85.0 1.0 N G:GLU231 4.8 46.8 1.0 CE G:LYS165 4.9 53.1 1.0

S.Dey, M.Biswas, U.Sen, J.Dasgupta. Unique Atpase Site Architecture with Trans-Acting Glu Switch Regulates Atpase Activity in Heptameric Flrc, the Sigma 54-Activator Implicated in Flagellar Synthesis To Be Published.