Magnesium in PDB 3cr3: Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis

The structure of Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis, PDB code: 3cr3 was solved by J.M.Jeckelmann, A.Zurbriggen, S.Christen, U.Baumann, B.Erni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.23 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.133, 146.842, 58.483, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 26.3

The binding sites of Magnesium atom in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis (pdb code 3cr3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis, PDB code: 3cr3:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1212 b:19.2 occ:1.00 OD1 A:ASP36 1.9 13.3 1.0 O1A A:ADP1211 2.0 13.9 1.0 OD1 A:ASP34 2.1 15.5 1.0 O1B A:ADP1211 2.1 15.5 1.0 OD2 A:ASP29 2.1 14.2 1.0 O A:HOH1287 2.4 18.1 1.0 CG A:ASP36 2.9 14.8 1.0 CG A:ASP29 3.1 16.1 1.0 PB A:ADP1211 3.2 15.6 1.0 PA A:ADP1211 3.2 14.2 1.0 CG A:ASP34 3.2 16.1 1.0 OD2 A:ASP36 3.4 17.5 1.0 OD1 A:ASP29 3.5 14.1 1.0 O3A A:ADP1211 3.6 14.4 1.0 O3B A:ADP1211 3.7 14.2 1.0 MG A:MG1213 3.7 29.2 1.0 OD2 A:ASP34 3.8 17.0 1.0 N A:HIS37 3.9 14.8 1.0 N A:ASP36 4.0 16.1 1.0 O2A A:ADP1211 4.1 16.7 1.0 CB A:ASP36 4.1 15.9 1.0 N A:ASP34 4.1 16.4 1.0 C A:ASP36 4.2 15.7 1.0 CA A:ASP36 4.3 15.6 1.0 ND2 A:ASN40 4.3 18.4 1.0 CB A:ASP29 4.4 16.4 1.0 CA A:HIS37 4.4 14.2 1.0 O5' A:ADP1211 4.5 15.9 1.0 CB A:ASP34 4.5 16.3 1.0 O2B A:ADP1211 4.5 13.9 1.0 N A:GLY35 4.6 15.6 1.0 CA A:ASP34 4.6 15.8 1.0 CB A:HIS37 4.6 13.6 1.0 C A:ASP34 4.7 15.8 1.0 C5' A:ADP1211 4.7 15.1 1.0 CD A:ARG161 4.9 13.2 1.0

Magnesium binding site 2 out of 4 in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1213 b:29.2 occ:1.00 O A:HOH1229 2.4 21.5 1.0 OD2 A:ASP36 2.4 17.5 1.0 OD2 A:ASP34 2.4 17.0 1.0 O1B A:ADP1211 2.5 15.5 1.0 O C:HOH168 2.8 30.9 1.0 CG A:ASP34 3.3 16.1 1.0 CG A:ASP36 3.4 14.8 1.0 OD1 A:ASP34 3.5 15.5 1.0 O2B A:ADP1211 3.5 13.9 1.0 PB A:ADP1211 3.5 15.6 1.0 OD1 A:ASP36 3.6 13.3 1.0 MG A:MG1212 3.7 19.2 1.0 NE A:ARG161 4.1 16.8 1.0 NH2 A:ARG161 4.1 17.3 1.0 CA A:GLY77 4.1 20.5 1.0 ND2 A:ASN40 4.2 18.4 1.0 CZ A:ARG161 4.3 17.6 1.0 O3A A:ADP1211 4.4 14.4 1.0 OE1 D:GLU24 4.7 24.2 1.0 CB A:ASP36 4.7 15.9 1.0 CB A:ASP34 4.7 16.3 1.0 N A:GLY77 4.7 22.0 1.0 O3B A:ADP1211 4.7 14.2 1.0 CD A:ARG161 4.9 13.2 1.0 O A:GLY76 4.9 22.5 1.0 O1A A:ADP1211 5.0 13.9 1.0

Magnesium binding site 3 out of 4 in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1212 b:20.4 occ:1.00 O1B B:ADP1211 1.9 17.4 1.0 O B:HOH1251 2.0 15.5 1.0 OD1 B:ASP34 2.1 15.2 1.0 O1A B:ADP1211 2.1 16.2 1.0 OD1 B:ASP36 2.2 15.8 1.0 OD2 B:ASP29 2.2 12.8 1.0 PB B:ADP1211 2.9 14.9 1.0 CG B:ASP29 3.1 16.2 1.0 CG B:ASP34 3.2 14.7 1.0 CG B:ASP36 3.2 14.2 1.0 PA B:ADP1211 3.3 16.6 1.0 O3B B:ADP1211 3.3 15.5 1.0 OD1 B:ASP29 3.4 14.8 1.0 MG B:MG1213 3.4 24.6 1.0 O3A B:ADP1211 3.5 14.3 1.0 OD2 B:ASP34 3.6 15.9 1.0 OD2 B:ASP36 3.6 13.4 1.0 N B:ASP34 4.0 14.5 1.0 N B:ASP36 4.1 16.1 1.0 N B:HIS37 4.1 15.9 1.0 O2A B:ADP1211 4.2 17.2 1.0 O2B B:ADP1211 4.3 11.6 1.0 CB B:ASP36 4.3 15.9 1.0 CB B:ASP34 4.4 14.8 1.0 O5' B:ADP1211 4.4 18.0 1.0 CA B:ASP36 4.5 15.6 1.0 C B:ASP36 4.5 15.5 1.0 CB B:ASP29 4.5 17.1 1.0 CD B:ARG161 4.6 15.6 1.0 N B:GLY35 4.6 15.8 1.0 ND2 B:ASN40 4.6 16.0 1.0 CA B:ASP34 4.6 15.1 1.0 C5' B:ADP1211 4.6 16.8 1.0 CA B:HIS37 4.7 15.3 1.0 C B:ASP34 4.7 15.3 1.0 NE B:ARG161 4.8 17.3 1.0 CB B:HIS37 4.9 15.0 1.0

Magnesium binding site 4 out of 4 in the Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of A Transient Complex Between Dha-Kinase Subunits Dham and Dhal From Lactococcus Lactis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1213 b:24.6 occ:1.00 O1B B:ADP1211 2.1 17.4 1.0 O B:HOH1224 2.3 19.1 1.0 OD2 B:ASP34 2.4 15.9 1.0 OD2 B:ASP36 2.4 13.4 1.0 PB B:ADP1211 3.2 14.9 1.0 CG B:ASP34 3.2 14.7 1.0 CG B:ASP36 3.2 14.2 1.0 O2B B:ADP1211 3.3 11.6 1.0 OD1 B:ASP34 3.4 15.2 1.0 OD1 B:ASP36 3.4 15.8 1.0 MG B:MG1212 3.4 20.4 1.0 NE B:ARG161 3.9 17.3 1.0 O3A B:ADP1211 4.1 14.3 1.0 NH2 B:ARG161 4.1 16.9 1.0 ND2 B:ASN40 4.1 16.0 1.0 CA B:GLY77 4.2 20.7 1.0 CZ B:ARG161 4.3 17.0 1.0 O3B B:ADP1211 4.4 15.5 1.0 CB B:ASP36 4.6 15.9 1.0 CB B:ASP34 4.6 14.8 1.0 O1A B:ADP1211 4.7 16.2 1.0 O B:HOH1251 4.7 15.5 1.0 CD B:ARG161 4.7 15.6 1.0 PA B:ADP1211 4.8 16.6 1.0 O B:GLY76 4.8 25.1 1.0 O D:HOH162 4.9 19.1 1.0 NE2 D:HIS10 5.0 14.0 1.0 N B:GLY77 5.0 22.8 1.0

A.Zurbriggen, J.M.Jeckelmann, S.Christen, C.Bieniossek, U.Baumann, B.Erni. X-Ray Structures of the Three Lactococcus Lactis Dihydroxyacetone Kinase Subunits and of A Transient Intersubunit Complex. J.Biol.Chem. V. 283 35789 2008.
ISSN: ISSN 0021-9258
PubMed: 18957416
DOI: 10.1074/JBC.M804893200