Magnesium in PDB 1s16: Crystal Structure of E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp

The structure of Crystal Structure of E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp, PDB code: 1s16 was solved by Y.Wei, C.H.Gross, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.900, 120.800, 136.800, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Crystal Structure of E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp (pdb code 1s16). 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 E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp, PDB code: 1s16:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp


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 E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:12.3 occ:1.00 O1A A:ANP1500 2.7 22.8 1.0 O A:ARG1093 2.7 27.4 1.0 O A:ALA1096 2.8 21.4 1.0 O A:GLY1113 2.8 21.7 1.0 O A:ILE1090 2.8 25.6 1.0 OG A:SER1117 3.0 28.4 1.0 C A:GLY1113 3.5 21.7 1.0 CB A:SER1117 3.7 25.0 1.0 C A:ILE1090 3.8 25.6 1.0 C A:ALA1096 3.8 22.0 1.0 C A:ARG1093 3.9 27.2 1.0 N A:ALA1096 4.0 24.4 1.0 N A:VAL1114 4.1 20.4 1.0 PA A:ANP1500 4.1 23.1 1.0 CA A:ILE1090 4.1 25.9 1.0 CB A:ALA1096 4.2 22.5 1.0 C5' A:ANP1500 4.2 21.6 1.0 CA A:VAL1114 4.2 21.4 1.0 CA A:ALA1096 4.3 23.3 1.0 CA A:GLY1113 4.3 21.3 1.0 O A:LEU1089 4.3 29.5 1.0 N A:SER1117 4.4 23.7 1.0 CG2 A:ILE1116 4.5 24.8 1.0 O5' A:ANP1500 4.5 23.6 1.0 C A:VAL1114 4.6 21.2 1.0 O A:VAL1114 4.6 20.1 1.0 N A:HIS1095 4.7 25.9 1.0 CA A:SER1117 4.7 24.1 1.0 CA A:LEU1094 4.7 26.8 1.0 O3A A:ANP1500 4.7 24.0 1.0 N A:LEU1094 4.7 26.4 1.0 N A:ARG1093 4.8 26.9 1.0 CG2 A:ILE1090 4.9 26.3 1.0 C A:LEU1094 4.9 26.8 1.0 CA A:ARG1093 4.9 28.2 1.0 N A:LEU1091 5.0 25.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp


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 E. Coli Topoisomerase IV Pare 43KDA Subunit Complexed with Adpnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2501 b:10.6 occ:1.00 O B:GLY2113 2.7 21.5 1.0 O B:ILE2090 2.8 30.4 1.0 O B:ARG2093 2.8 28.3 1.0 O1A B:ANP2500 2.8 22.1 1.0 O B:ALA2096 2.8 24.6 1.0 OG B:SER2117 2.8 28.7 1.0 C B:GLY2113 3.5 22.6 1.0 CB B:SER2117 3.7 26.1 1.0 C B:ILE2090 3.7 30.8 1.0 C B:ALA2096 3.9 24.4 1.0 C B:ARG2093 3.9 28.5 1.0 N B:ALA2096 4.1 26.3 1.0 CA B:ILE2090 4.1 31.1 1.0 PA B:ANP2500 4.1 24.1 1.0 N B:VAL2114 4.2 22.7 1.0 O B:LEU2089 4.2 33.4 1.0 CB B:ALA2096 4.2 25.7 1.0 C5' B:ANP2500 4.2 24.0 1.0 CA B:GLY2113 4.3 22.0 1.0 CA B:ALA2096 4.3 25.5 1.0 N B:SER2117 4.4 26.8 1.0 CA B:VAL2114 4.4 23.4 1.0 CG2 B:ILE2116 4.4 24.8 1.0 O5' B:ANP2500 4.5 25.7 1.0 CA B:SER2117 4.6 25.7 1.0 C B:VAL2114 4.6 23.6 1.0 CA B:LEU2094 4.7 29.0 1.0 O B:VAL2114 4.7 23.2 1.0 N B:HIS2095 4.7 28.3 1.0 O3A B:ANP2500 4.7 24.0 1.0 N B:LEU2094 4.7 28.5 1.0 N B:ARG2093 4.8 28.6 1.0 C B:LEU2094 4.8 28.7 1.0 CA B:ARG2093 4.9 29.1 1.0 N B:LEU2091 4.9 29.1 1.0 CG2 B:ILE2090 4.9 30.3 1.0

S.Bellon, J.D.Parsons, Y.Wei, K.Hayakawa, L.L.Swenson, P.S.Charifson, J.A.Lippke, R.Aldape, C.H.Gross. Crystal Structures of Escherichia Coli Topoisomerase IV Pare Subunit (24 and 43 Kilodaltons): A Single Residue Dictates Differences in Novobiocin Potency Against Topoisomerase IV and Dna Gyrase. Antimicrob.Agents Chemother. V. 48 1856 2004.
ISSN: ISSN 0066-4804
PubMed: 15105144
DOI: 10.1128/AAC.48.5.1856-1864.2004