Magnesium in PDB 4wh5: Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound

The structure of Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound, PDB code: 4wh5 was solved by P.J.Stogios, A.Dong, G.Minasov, E.Evdokimova, O.Egorova, M.Kudritska, O.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.35 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.447, 63.444, 60.808, 90.00, 101.60, 90.00
R / Rfree (%)	18.8 / 23

The structure of Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound (pdb code 4wh5). 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 Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound, PDB code: 4wh5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound


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 Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:60.1 occ:1.00 O A:HOH466 2.2 41.8 1.0 O A:HOH518 2.5 37.9 1.0 O4 A:3QB204 2.7 34.0 1.0 OD2 A:ASP48 2.8 26.5 1.0 OD2 A:ASP46 3.1 44.8 1.0 S1 A:3QB204 3.4 32.4 1.0 O A:HOH519 3.4 64.5 1.0 MG A:MG203 3.5 36.4 1.0 OD1 A:ASP46 3.5 38.4 1.0 O A:HOH389 3.5 29.6 1.0 C1 A:3QB204 3.6 34.1 1.0 C2 A:3QB204 3.6 34.0 1.0 CG A:ASP46 3.6 45.1 1.0 CG A:ASP48 3.8 24.1 1.0 O A:HOH520 3.8 60.6 1.0 O6 A:3QB204 4.0 34.5 1.0 OD1 A:ASP48 4.0 17.8 1.0 C5 A:3QB204 4.1 33.6 1.0 O A:HOH406 4.5 36.3 1.0 O A:HOH429 4.6 31.3 1.0 C6 A:3QB204 4.8 33.1 1.0 C3 A:3QB204 4.9 33.9 1.0 CB A:ASP46 4.9 29.3 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound


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 Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:36.4 occ:1.00 OD2 A:ASP48 2.7 26.5 1.0 OD1 A:ASP46 2.9 38.4 1.0 N A:GLY30 3.0 16.6 1.0 O A:HOH449 3.1 38.6 1.0 O A:HOH453 3.2 21.5 1.0 O A:HOH518 3.3 37.9 1.0 O A:HOH406 3.4 36.3 1.0 CA A:GLY29 3.4 13.2 1.0 MG A:MG202 3.5 60.1 1.0 C A:GLY29 3.6 18.9 1.0 CG A:ASP48 3.8 24.1 1.0 CG A:ASP46 3.8 45.1 1.0 O A:ASP46 3.9 22.3 1.0 S1 A:3QB204 4.0 32.4 1.0 N A:ASP48 4.0 19.0 1.0 CA A:GLY30 4.0 14.0 1.0 CB A:ASP48 4.2 20.4 1.0 C A:ASP46 4.3 24.2 1.0 C A:ILE47 4.3 21.1 1.0 OD2 A:ASP46 4.4 44.8 1.0 CA A:ILE47 4.5 19.3 1.0 O A:ASP28 4.5 16.3 1.0 N A:TRP31 4.5 22.5 1.0 N A:GLY29 4.5 15.3 1.0 C6 A:3QB204 4.6 33.1 1.0 N A:ILE47 4.6 17.6 1.0 CA A:ASP48 4.7 18.8 1.0 CB A:ASP46 4.8 29.3 1.0 OD1 A:ASP48 4.8 17.8 1.0 O A:GLY29 4.8 18.3 1.0 C A:GLY30 4.8 27.6 1.0 C A:ASP28 4.9 18.5 1.0 O A:ILE47 5.0 15.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound


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 Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:44.8 occ:1.00 O B:HOH527 2.2 51.7 1.0 O B:HOH516 2.7 36.4 1.0 OD2 B:ASP48 2.9 21.2 1.0 O4 B:3QB203 3.0 31.4 1.0 O6 B:3QB203 3.0 30.2 1.0 OD2 B:ASP46 3.1 24.1 1.0 O B:HOH422 3.1 30.7 1.0 OD1 B:ASP46 3.2 20.0 1.0 OD2 B:ASP90 3.2 31.3 1.0 CG B:ASP46 3.2 26.1 1.0 C2 B:3QB203 3.4 32.9 1.0 CG B:ASP48 3.7 17.2 1.0 OD1 B:ASP48 3.7 20.6 1.0 MG B:MG202 3.7 29.3 1.0 C1 B:3QB203 3.8 34.3 1.0 O B:HOH541 3.8 34.3 1.0 CB B:ASP46 4.3 16.1 1.0 O B:HOH542 4.4 54.7 1.0 CG B:ASP90 4.4 26.9 1.0 S1 B:3QB203 4.5 48.3 1.0 O B:HOH434 4.7 35.5 1.0 C3 B:3QB203 4.7 34.2 1.0 O B:HOH396 4.8 23.0 1.0 NH2 B:ARG78 4.8 37.0 1.0 C5 B:3QB203 4.8 39.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound


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 Lincosamide Antibiotic Adenylyltransferase Lnua, Lincomycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:29.3 occ:1.00 OD1 B:ASP46 2.7 20.0 1.0 OD2 B:ASP48 2.8 21.2 1.0 O B:HOH372 2.8 14.5 1.0 O B:HOH374 3.1 17.7 1.0 N B:GLY30 3.1 16.2 1.0 O B:HOH396 3.3 23.0 1.0 O B:ASP46 3.5 18.6 1.0 O B:HOH527 3.6 51.7 1.0 N B:ASP48 3.7 14.8 1.0 CA B:GLY29 3.7 14.8 1.0 CG B:ASP48 3.7 17.2 1.0 MG B:MG201 3.7 44.8 1.0 CG B:ASP46 3.7 26.1 1.0 C B:GLY29 3.8 11.4 1.0 C B:ASP46 3.9 17.1 1.0 C B:ILE47 4.0 10.6 1.0 CA B:GLY30 4.1 15.4 1.0 CB B:ASP48 4.1 13.1 1.0 CA B:ILE47 4.1 8.6 1.0 N B:ILE47 4.3 11.8 1.0 O B:HOH541 4.3 34.3 1.0 N B:TRP31 4.4 11.0 1.0 CB B:ASP46 4.4 16.1 1.0 CA B:ASP48 4.5 12.1 1.0 O B:ASP28 4.6 14.2 1.0 O B:HOH443 4.6 35.1 1.0 OD2 B:ASP46 4.6 24.1 1.0 CA B:ASP46 4.7 15.5 1.0 OD1 B:ASP48 4.7 20.6 1.0 N B:GLY29 4.7 16.2 1.0 O B:HOH542 4.7 54.7 1.0 O B:ILE47 4.8 15.3 1.0 C B:GLY30 4.8 19.8 1.0 O B:GLY29 5.0 12.9 1.0

P.J.Stogios, P.J.Stogios, A.Dong, G.Minasov, E.Evdokimova, O.Egorova, M.Kudritska, O.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid). N/A N/A.