Magnesium in PDB 2ews: Crystal Structure of S.Aureus Pantothenate Kinase

All present enzymatic activity of Crystal Structure of S.Aureus Pantothenate Kinase:
2.7.1.33;

The structure of Crystal Structure of S.Aureus Pantothenate Kinase, PDB code: 2ews was solved by B.S.Hong, H.W.Park, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.05
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	104.044, 104.044, 85.718, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 28.9

The binding sites of Magnesium atom in the Crystal Structure of S.Aureus Pantothenate Kinase (pdb code 2ews). 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 S.Aureus Pantothenate Kinase, PDB code: 2ews:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of S.Aureus Pantothenate Kinase


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 S.Aureus Pantothenate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:36.5 occ:1.00 O3G A:ANP1001 2.2 33.7 1.0 O1B A:ANP1001 2.2 30.0 1.0 O A:HOH1023 2.5 32.1 1.0 O A:HOH1012 2.5 31.1 1.0 O A:HOH1064 2.5 35.1 1.0 O A:HOH1026 2.6 29.4 1.0 PB A:ANP1001 3.2 33.3 1.0 PG A:ANP1001 3.2 35.3 1.0 N3B A:ANP1001 3.4 35.8 1.0 O3A A:ANP1001 3.7 37.9 1.0 O2G A:ANP1001 3.7 34.7 1.0 O A:HOH1007 4.1 31.9 1.0 NZ A:LYS13 4.1 28.4 1.0 O1A A:ANP1001 4.2 32.8 1.0 OE1 A:GLU70 4.2 57.8 1.0 O A:HOH1131 4.2 37.8 1.0 OD2 A:ASP6 4.4 33.9 1.0 OD1 A:ASP6 4.4 29.8 1.0 CA A:GLY8 4.5 31.6 1.0 PA A:ANP1001 4.5 38.1 1.0 O A:HOH1153 4.5 33.8 1.0 O A:HOH1027 4.5 35.1 1.0 O2B A:ANP1001 4.5 37.0 1.0 O1G A:ANP1001 4.5 34.2 1.0 ND2 A:ASN96 4.5 42.1 1.0 O A:HOH1065 4.6 34.2 1.0 O A:HOH1031 4.7 35.0 1.0 CG A:ASP6 4.8 30.7 1.0 O2A A:ANP1001 4.9 35.6 1.0 CE A:LYS13 4.9 21.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of S.Aureus Pantothenate Kinase


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 S.Aureus Pantothenate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:37.0 occ:1.00 O1G B:ANP1002 2.2 37.1 1.0 O1B B:ANP1002 2.2 29.7 1.0 O B:HOH1039 2.4 33.3 1.0 O B:HOH1008 2.5 26.0 1.0 O B:HOH1040 2.6 28.2 1.0 O B:HOH1006 2.6 32.4 1.0 PB B:ANP1002 3.1 32.8 1.0 N3B B:ANP1002 3.3 29.6 1.0 PG B:ANP1002 3.3 34.3 1.0 O3A B:ANP1002 3.6 32.7 1.0 NZ B:LYS13 4.0 28.5 1.0 O1A B:ANP1002 4.0 35.6 1.0 O B:HOH1058 4.2 39.3 1.0 O B:HOH1009 4.2 29.1 1.0 O B:HOH1015 4.3 33.5 1.0 O2G B:ANP1002 4.4 37.0 1.0 PA B:ANP1002 4.4 37.0 1.0 O3G B:ANP1002 4.4 37.3 1.0 O2B B:ANP1002 4.5 32.4 1.0 OD2 B:ASP6 4.6 25.6 1.0 O B:HOH1021 4.6 38.8 1.0 O B:HOH1019 4.6 36.2 1.0 OD1 B:ASP6 4.6 26.1 1.0 CA B:GLY8 4.7 28.2 1.0 O B:HOH1128 4.7 41.7 1.0 ND2 B:ASN96 4.8 30.0 1.0 O2A B:ANP1002 4.8 36.0 1.0 CE B:LYS13 5.0 16.9 1.0 CG B:ASP6 5.0 24.2 1.0

B.S.Hong, M.K.Yun, Y.M.Zhang, S.Chohnan, C.O.Rock, S.W.White, S.Jackowski, H.W.Park, R.Leonardi. Prokaryotic Type II and Type III Pantothenate Kinases: the Same Monomer Fold Creates Dimers with Distinct Catalytic Properties. Structure V. 14 1251 2006.
ISSN: ISSN 0969-2126
PubMed: 16905099
DOI: 10.1016/J.STR.2006.06.008