Magnesium in PDB 6blk: Mycobacterial Sensor Histidine Kinase Mprb

The structure of Mycobacterial Sensor Histidine Kinase Mprb, PDB code: 6blk was solved by J.Li, N.Korotkova, K.V.Korotkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.42 / 1.55
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.410, 61.630, 67.220, 102.78, 104.47, 109.08
R / Rfree (%)	18.4 / 22.1

The binding sites of Magnesium atom in the Mycobacterial Sensor Histidine Kinase Mprb (pdb code 6blk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Mycobacterial Sensor Histidine Kinase Mprb, PDB code: 6blk:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Mycobacterial Sensor Histidine Kinase Mprb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mycobacterial Sensor Histidine Kinase Mprb within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:13.8 occ:1.00 O2A C:ATP501 2.0 13.5 1.0 O1G C:ATP501 2.0 13.2 1.0 O2B C:ATP501 2.1 11.8 1.0 O C:HOH665 2.1 12.5 1.0 OD1 C:ASN375 2.1 14.4 1.0 O C:HOH609 2.2 17.5 1.0 HD21 C:ASN375 3.0 15.7 1.0 CG C:ASN375 3.1 17.1 1.0 PB C:ATP501 3.1 14.4 1.0 PA C:ATP501 3.1 11.7 1.0 PG C:ATP501 3.3 16.5 1.0 ND2 C:ASN375 3.4 13.1 1.0 O3A C:ATP501 3.4 12.8 1.0 O3B C:ATP501 3.5 13.2 1.0 HZ3 C:LYS378 3.5 22.7 1.0 HA3 C:GLY436 3.5 16.1 1.0 O C:HOH715 3.7 29.5 1.0 O3G C:ATP501 3.9 19.0 1.0 HZ3 C:TRP379 4.1 18.7 1.0 H C:GLY436 4.1 15.4 1.0 O5' C:ATP501 4.1 14.4 1.0 HZ2 C:LYS378 4.2 22.7 1.0 HD22 C:ASN375 4.2 15.7 1.0 HD3 C:LYS378 4.3 26.4 1.0 NZ C:LYS378 4.3 18.9 1.0 O1A C:ATP501 4.3 15.2 1.0 CA C:GLY436 4.4 13.4 1.0 CB C:ASN375 4.5 12.8 1.0 O C:ASN371 4.5 13.2 1.0 HA C:ASN375 4.5 16.8 1.0 HG C:LEU437 4.5 18.2 1.0 O2G C:ATP501 4.5 14.4 1.0 OD2 C:ASP374 4.5 27.6 1.0 O1B C:ATP501 4.5 19.3 1.0 HH2 C:TRP379 4.6 20.4 1.0 H3' C:ATP501 4.7 24.2 1.0 HB3 C:ASP374 4.7 19.8 1.0 N C:GLY436 4.7 12.8 1.0 H C:ASN375 4.7 15.4 1.0 O C:HOH633 4.8 37.9 1.0 O C:HOH638 4.8 24.9 1.0 CA C:ASN375 4.8 14.0 1.0 H C:LEU437 4.8 13.6 1.0 HZ1 C:LYS378 4.8 22.7 1.0 HD2 C:LYS378 4.8 26.4 1.0 N C:ASN375 4.9 12.8 1.0 HB3 C:ASN375 4.9 15.4 1.0 CZ3 C:TRP379 4.9 15.6 1.0 HB3 C:ASN371 4.9 15.9 1.0 CD C:LYS378 4.9 21.9 1.0

Magnesium binding site 2 out of 4 in the Mycobacterial Sensor Histidine Kinase Mprb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mycobacterial Sensor Histidine Kinase Mprb within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:15.6 occ:1.00 O1A D:ATP501 1.9 16.2 1.0 O3G D:ATP501 2.0 18.1 1.0 OD1 D:ASN375 2.1 14.8 1.0 O1B D:ATP501 2.1 13.5 1.0 O D:HOH663 2.1 13.8 1.0 O D:HOH625 2.1 21.9 1.0 HD21 D:ASN375 3.0 16.2 1.0 CG D:ASN375 3.0 18.0 1.0 PB D:ATP501 3.1 16.5 1.0 PA D:ATP501 3.2 13.8 1.0 PG D:ATP501 3.3 17.2 1.0 ND2 D:ASN375 3.4 13.5 1.0 O3A D:ATP501 3.4 16.1 1.0 O3B D:ATP501 3.5 14.8 1.0 HA3 D:GLY436 3.6 16.8 1.0 HZ3 D:LYS378 3.6 21.7 1.0 O D:HOH649 3.6 38.4 1.0 O1G D:ATP501 3.9 20.8 1.0 HZ3 D:TRP379 4.1 20.6 1.0 HZ2 D:LYS378 4.1 21.7 1.0 H D:GLY436 4.1 21.2 1.0 HD3 D:LYS378 4.1 26.2 1.0 O5' D:ATP501 4.2 18.5 1.0 HD22 D:ASN375 4.2 16.2 1.0 NZ D:LYS378 4.3 18.1 1.0 O2A D:ATP501 4.3 15.1 1.0 HA D:ASN375 4.4 17.5 1.0 CB D:ASN375 4.4 14.6 1.0 CA D:GLY436 4.5 14.0 1.0 O D:ASN371 4.5 15.2 1.0 OD2 D:ASP374 4.5 29.3 1.0 O2B D:ATP501 4.5 22.2 1.0 O2G D:ATP501 4.5 14.6 1.0 HG D:LEU437 4.5 19.8 1.0 HH2 D:TRP379 4.6 19.6 1.0 H3' D:ATP501 4.6 25.4 1.0 HB3 D:ASP374 4.7 26.7 1.0 HD2 D:LYS378 4.7 26.2 1.0 H D:ASN375 4.7 18.7 1.0 N D:GLY436 4.7 17.6 1.0 O D:HOH613 4.8 28.5 1.0 CA D:ASN375 4.8 14.5 1.0 CD D:LYS378 4.8 21.9 1.0 N D:ASN375 4.8 15.6 1.0 CZ3 D:TRP379 4.9 17.2 1.0 O D:HOH608 4.9 36.9 1.0 HB3 D:ASN375 4.9 17.5 1.0 HZ1 D:LYS378 4.9 21.7 1.0 HB3 D:ASN371 4.9 16.3 1.0 H D:LEU437 4.9 14.6 1.0 HB2 D:ASN375 5.0 17.5 1.0

Magnesium binding site 3 out of 4 in the Mycobacterial Sensor Histidine Kinase Mprb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mycobacterial Sensor Histidine Kinase Mprb within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:13.2 occ:1.00 O1A A:ATP501 2.0 9.7 1.0 O1B A:ATP501 2.1 12.3 1.0 OD1 A:ASN375 2.1 10.5 1.0 O2G A:ATP501 2.1 13.1 1.0 O A:HOH602 2.2 15.2 1.0 O A:HOH684 2.2 15.8 1.0 HD21 A:ASN375 3.0 12.5 1.0 CG A:ASN375 3.1 10.5 1.0 PB A:ATP501 3.1 14.2 1.0 PG A:ATP501 3.2 14.8 1.0 PA A:ATP501 3.2 12.6 1.0 HA3 A:GLY436 3.3 11.8 1.0 HZ1 A:LYS378 3.3 24.0 1.0 ND2 A:ASN375 3.4 10.4 1.0 O3A A:ATP501 3.4 11.9 1.0 O3B A:ATP501 3.5 12.8 1.0 O1G A:ATP501 3.7 17.8 1.0 HZ3 A:TRP379 4.0 19.7 1.0 O A:HOH724 4.0 27.1 1.0 H A:GLY436 4.1 14.9 1.0 NZ A:LYS378 4.1 20.0 1.0 O2A A:ATP501 4.2 13.0 1.0 O5' A:ATP501 4.2 13.8 1.0 CA A:GLY436 4.2 9.8 1.0 HE2 A:LYS378 4.2 25.6 1.0 HZ3 A:LYS378 4.3 24.0 1.0 HD22 A:ASN375 4.3 12.5 1.0 OD2 A:ASP374 4.3 28.0 1.0 HA A:ASN375 4.4 10.4 1.0 CB A:ASN375 4.4 13.6 1.0 O2B A:ATP501 4.5 16.4 1.0 O3G A:ATP501 4.5 15.7 1.0 O A:ASN371 4.5 10.9 1.0 N A:GLY436 4.6 12.4 1.0 CE A:LYS378 4.6 21.3 1.0 H A:LEU437 4.7 13.8 1.0 HZ2 A:LYS378 4.7 24.0 1.0 HA2 A:GLY436 4.7 11.8 1.0 H A:ASN375 4.8 14.5 1.0 HG A:LEU437 4.8 16.4 1.0 HB3 A:ASP374 4.8 15.6 1.0 HE3 A:LYS378 4.8 25.6 1.0 CA A:ASN375 4.8 8.6 1.0 H3' A:ATP501 4.8 18.8 1.0 CZ3 A:TRP379 4.8 16.4 1.0 N A:ASN375 4.9 12.1 1.0 HB3 A:ASN375 4.9 16.3 1.0 HH2 A:TRP379 4.9 21.3 1.0 HB3 A:ASN371 5.0 14.3 1.0

Magnesium binding site 4 out of 4 in the Mycobacterial Sensor Histidine Kinase Mprb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mycobacterial Sensor Histidine Kinase Mprb within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:13.7 occ:1.00 O2A B:ATP501 2.0 9.2 1.0 O2B B:ATP501 2.0 12.0 1.0 O2G B:ATP501 2.1 12.4 1.0 O B:HOH611 2.1 12.9 1.0 OD1 B:ASN375 2.1 10.3 1.0 O B:HOH690 2.3 13.0 1.0 HD21 B:ASN375 3.0 12.3 1.0 CG B:ASN375 3.1 11.8 1.0 PB B:ATP501 3.1 11.8 1.0 PG B:ATP501 3.2 13.5 1.0 PA B:ATP501 3.2 11.7 1.0 ND2 B:ASN375 3.4 10.2 1.0 HA3 B:GLY436 3.4 12.2 1.0 O3A B:ATP501 3.4 9.7 1.0 HZ1 B:LYS378 3.4 21.7 1.0 O3B B:ATP501 3.5 11.2 1.0 O3G B:ATP501 3.7 16.8 1.0 O B:HOH733 4.0 28.3 1.0 HZ3 B:TRP379 4.0 18.5 1.0 HZ3 B:LYS378 4.0 21.7 1.0 NZ B:LYS378 4.1 18.1 1.0 H B:GLY436 4.1 14.5 1.0 HE2 B:LYS378 4.1 22.8 1.0 O5' B:ATP501 4.2 13.0 1.0 HD22 B:ASN375 4.2 12.3 1.0 O1A B:ATP501 4.3 12.7 1.0 CA B:GLY436 4.3 10.1 1.0 HA B:ASN375 4.4 11.7 1.0 OD2 B:ASP374 4.4 25.4 1.0 CB B:ASN375 4.4 11.0 1.0 O1B B:ATP501 4.4 15.4 1.0 O1G B:ATP501 4.5 15.5 1.0 O B:ASN371 4.5 11.1 1.0 CE B:LYS378 4.7 19.0 1.0 N B:GLY436 4.7 12.1 1.0 H B:ASN375 4.8 15.1 1.0 H B:LEU437 4.8 13.1 1.0 HG B:LEU437 4.8 16.0 1.0 HB3 B:ASP374 4.8 15.0 1.0 CA B:ASN375 4.8 9.7 1.0 H3' B:ATP501 4.8 16.2 1.0 HZ2 B:LYS378 4.8 21.7 1.0 CZ3 B:TRP379 4.8 15.4 1.0 HB3 B:ASN375 4.9 13.2 1.0 HA2 B:GLY436 4.9 12.2 1.0 N B:ASN375 4.9 12.6 1.0 HH2 B:TRP379 4.9 17.9 1.0 HB3 B:ASN371 5.0 13.7 1.0

J.Li, N.Korotkova, K.V.Korotkov. Mycobacterial Sensor Histidine Kinase Mprb To Be Published.