Magnesium in PDB 4kr5: Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation

The structure of Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation, PDB code: 4kr5 was solved by A.Vujicic Zagar, A.Guskov, G.K.Schuurman-Wolters, D.J.Slotboom, B.Poolman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.691, 89.123, 59.477, 90.00, 95.58, 90.00
R / Rfree (%)	14.3 / 18.6

The structure of Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation (pdb code 4kr5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation, PDB code: 4kr5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:16.0 occ:1.00 O B:HOH602 2.2 18.2 1.0 O A:HOH602 2.2 15.7 1.0 O B:HOH601 2.2 14.9 1.0 O A:HOH601 2.2 16.2 1.0 O B:HOH603 2.2 18.0 1.0 O A:HOH603 2.2 14.5 1.0 O A:HOH950 3.6 39.6 1.0 OD1 A:ASP267 3.9 10.8 1.0 O B:SER269 4.0 16.2 1.0 O A:HOH754 4.0 28.3 1.0 O A:HOH616 4.0 11.7 1.0 OD2 B:ASP267 4.1 15.7 1.0 OD1 B:ASP267 4.2 13.6 1.0 O A:HOH892 4.2 28.2 1.0 O A:HOH821 4.3 32.4 1.0 OD2 A:ASP267 4.3 10.5 1.0 OD1 A:ASN268 4.3 13.0 1.0 O B:HOH758 4.4 28.7 1.0 CG A:ASP267 4.6 10.5 1.0 CG B:ASP267 4.6 13.1 1.0 CL B:CL502 4.8 17.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation


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 Lactococcus Lactis Glnp Substrate Binding Domain 2 (SBD2) in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:23.0 occ:1.00 O A:HOH605 2.2 21.2 1.0 O B:HOH604 2.2 24.7 1.0 O A:HOH604 2.2 22.2 1.0 O B:HOH605 2.2 24.7 1.0 O B:HOH607 2.2 23.8 1.0 O B:HOH606 2.2 21.5 1.0 O A:HOH952 3.3 37.2 1.0 O B:HOH803 4.0 40.7 1.0 O B:HOH955 4.1 12.4 1.0 O B:HOH731 4.1 18.2 1.0 O B:HOH743 4.1 28.8 1.0 OD2 B:ASP440 4.2 20.7 1.0 O B:HOH858 4.2 30.7 1.0 O A:HOH637 4.3 20.0 1.0 O A:HOH724 4.3 18.0 1.0 OG B:SER328 4.3 13.9 1.0 O A:HOH641 4.4 23.6 1.0 OD1 B:ASP417 4.4 18.2 1.0 O B:HOH703 4.5 22.6 1.0 OD2 A:ASP313 4.7 14.8 1.0 O B:HOH629 4.8 17.4 1.0 O B:HOH799 4.8 33.9 1.0 CB B:ALA377 4.9 9.8 1.0

F.Fulyani, G.K.Schuurman-Wolters, A.V.Zagar, A.Guskov, D.J.Slotboom, B.Poolman. Functional Diversity of Tandem Substrate-Binding Domains in Abc Transporters From Pathogenic Bacteria. Structure V. 21 1879 2013.
ISSN: ISSN 0969-2126
PubMed: 23994008
DOI: 10.1016/J.STR.2013.07.020