Magnesium in PDB 6oap: Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State

The structure of Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State, PDB code: 6oap was solved by S.Heewhan, R.Zhong, Z.Xiaoli, B.Sepalika, Y.Xiaojing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.27 / 1.97
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.532, 72.532, 254.734, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.8

The binding sites of Magnesium atom in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State (pdb code 6oap). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State, PDB code: 6oap:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg 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 A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:55.2 occ:1.00 O A:HOH502 2.1 51.5 1.0 O A:HOH522 2.1 51.0 1.0 OD2 A:ASP59 2.1 55.1 1.0 O A:HOH629 2.1 62.5 1.0 O A:HOH546 2.1 43.7 1.0 OD1 A:ASP13 2.2 52.6 1.0 CG A:ASP59 3.1 46.0 1.0 CG A:ASP13 3.2 52.3 1.0 OD1 A:ASP59 3.3 43.0 1.0 OD2 A:ASP13 3.5 56.2 1.0 OD1 A:ASP12 3.7 43.7 1.0 O A:ARG61 3.7 57.6 1.0 N A:ASP13 4.3 38.6 1.0 CB A:ASP59 4.4 36.2 1.0 CG A:ASP12 4.4 47.9 1.0 CB A:ASP13 4.5 48.6 1.0 OD2 A:ASP12 4.7 54.4 1.0 N A:SER14 4.8 46.2 1.0 CA A:ASP13 4.8 45.8 1.0 CE A:LYS111 4.9 0.7 1.0 C A:ARG61 4.9 55.6 1.0 NZ A:LYS111 5.0 0.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg 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 A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:70.2 occ:1.00 O A:HOH623 1.9 78.2 1.0 O B:HOH505 1.9 70.9 1.0 O B:HOH509 2.2 39.0 1.0 O B:HOH524 2.3 76.9 1.0 O A:HOH558 2.3 55.8 1.0 O A:HOH511 2.5 49.6 1.0 O B:HOH586 3.3 48.4 1.0 OD2 B:ASP107 3.9 41.4 1.0 OD1 B:ASP107 4.0 34.4 1.0 O B:HOH583 4.1 58.2 1.0 O A:HOH559 4.1 44.8 1.0 O B:HOH561 4.2 44.1 1.0 O A:HOH514 4.3 46.9 1.0 CD2 A:LEU121 4.4 66.1 1.0 CG B:ASP107 4.4 40.3 1.0 OD2 A:ASP107 4.4 50.5 1.0 OE2 A:GLU118 4.5 84.9 1.0 OD1 A:ASP107 4.6 39.2 1.0 CD2 B:LEU121 4.7 36.3 1.0 OE2 B:GLU118 4.8 0.8 1.0 CD2 A:LEU109 4.9 39.4 1.0 CG A:ASP107 4.9 46.2 1.0 CD A:GLU118 5.0 80.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg 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 A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:47.8 occ:1.00 O A:HOH645 2.1 44.7 1.0 O A:HOH669 2.2 40.8 1.0 O B:HOH533 2.3 39.1 1.0 O A:HOH657 2.3 54.3 1.0 O B:HOH598 2.3 37.6 1.0 O A:HOH647 2.3 41.2 1.0 O B:HOH526 4.0 48.0 1.0 O A:HOH527 4.1 33.7 1.0 O B:HOH583 4.2 58.2 1.0 O A:HOH607 4.2 56.8 1.0 OG1 B:THR129 4.2 39.3 1.0 O B:HOH550 4.2 44.5 1.0 O A:HOH668 4.3 53.5 1.0 O A:HOH514 4.3 46.9 1.0 OG1 A:THR129 4.3 31.6 1.0 O B:HOH535 4.3 41.5 1.0 O B:HOH544 4.6 55.4 1.0 OD2 A:ASP107 4.6 50.5 1.0 CA B:GLY125 4.8 36.3 1.0 O A:GLN106 4.8 36.7 1.0 O A:HOH550 4.9 48.2 1.0 O B:GLY125 5.0 34.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg 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 A Dual Sensor Histidine Kinase in the Green-Light Absorbing Pg State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:39.6 occ:1.00 O B:HOH539 2.1 30.2 1.0 OD2 B:ASP59 2.1 40.1 1.0 O B:HOH514 2.1 49.6 1.0 O B:HOH538 2.1 40.9 1.0 OD1 B:ASP13 2.2 41.5 1.0 O B:ARG61 2.2 38.0 1.0 CG B:ASP59 3.0 38.0 1.0 CG B:ASP13 3.2 36.0 1.0 OD1 B:ASP59 3.3 32.1 1.0 OD2 B:ASP13 3.4 37.0 1.0 C B:ARG61 3.5 32.9 1.0 O B:HOH621 4.1 43.5 1.0 CB B:ARG61 4.3 35.5 1.0 OD1 B:ASP12 4.3 53.8 1.0 CA B:ARG61 4.3 33.7 1.0 CB B:ASP59 4.4 33.3 1.0 N B:ASP13 4.4 29.1 1.0 N B:LEU62 4.4 32.4 1.0 CB B:ASP13 4.5 31.4 1.0 CA B:LEU62 4.6 30.8 1.0 N B:ARG61 4.6 34.4 1.0 CG B:ARG61 4.7 45.4 1.0 CD2 B:LEU62 4.8 32.9 1.0 CA B:ASP13 4.9 35.4 1.0 CG B:ASP12 5.0 49.8 1.0

H.Shin, Z.Ren, X.Zeng, S.Bandara, X.Yang. Structural Basis of Molecular Logic or in A Dual-Sensor Histidine Kinase. Proc.Natl.Acad.Sci.Usa V. 116 19973 2019.
ISSN: ESSN 1091-6490
PubMed: 31527275
DOI: 10.1073/PNAS.1910855116