Magnesium in PDB 4mrt: Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein

The structure of Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein, PDB code: 4mrt was solved by P.Tufar, S.Rahighi, F.I.Kraas, D.K.Kirchner, F.Loehr, E.Henrich, J.Koepke, I.Dikic, P.Guentert, M.A.Marahiel, V.Doetsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.91 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.660, 39.090, 53.310, 90.00, 107.03, 90.00
R / Rfree (%)	18.8 / 23.2

The binding sites of Magnesium atom in the Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein (pdb code 4mrt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein, PDB code: 4mrt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:16.6 occ:1.00 OD1 A:ASP107 1.9 12.6 1.0 O2A A:COA302 1.9 18.7 1.0 O4A A:COA302 2.0 21.6 1.0 O A:HOH468 2.1 13.4 1.0 OE1 A:GLU151 2.1 25.5 1.0 O A:HOH469 2.3 18.2 1.0 CG A:ASP107 2.9 12.9 1.0 CD A:GLU151 3.0 25.1 1.0 P1A A:COA302 3.1 17.9 1.0 P2A A:COA302 3.2 22.5 1.0 OD2 A:ASP107 3.3 13.2 1.0 OE2 A:GLU151 3.4 28.6 1.0 O3A A:COA302 3.6 20.0 1.0 OG A:SER89 3.8 13.5 1.0 O6A A:COA302 3.9 24.1 1.0 O1A A:COA302 3.9 16.6 1.0 O A:HOH527 4.0 19.1 1.0 O A:HOH414 4.0 11.1 1.0 OE2 A:GLU109 4.1 17.0 1.0 O A:ILE108 4.1 14.5 1.0 CB A:ASP107 4.2 12.2 1.0 CG A:GLU151 4.3 23.2 1.0 O5B A:COA302 4.4 18.5 1.0 NZ A:LYS155 4.4 16.3 1.0 CCP A:COA302 4.5 24.9 1.0 O5A A:COA302 4.6 23.2 1.0 CA A:ASP107 4.7 12.0 1.0 N A:ILE108 4.8 13.0 1.0 CB A:GLU151 4.9 20.0 1.0 CB A:SER89 4.9 13.6 1.0 CD A:LYS155 5.0 15.7 1.0 NE1 A:TRP147 5.0 15.0 1.0

Magnesium binding site 2 out of 2 in the Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and A Peptidyl Carrier Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:22.1 occ:1.00 O A:HOH527 2.0 19.1 1.0 O A:HIS90 2.1 15.8 1.0 O A:HOH529 2.1 18.0 1.0 O1A A:COA302 2.1 16.6 1.0 O A:HOH528 2.2 21.2 1.0 ND1 A:HIS90 2.5 18.7 1.0 CE1 A:HIS90 3.1 18.3 1.0 C A:HIS90 3.1 15.7 1.0 P1A A:COA302 3.4 17.9 1.0 O3A A:COA302 3.6 20.0 1.0 CG A:HIS90 3.6 17.8 1.0 N A:HIS90 3.8 15.5 1.0 CA A:HIS90 3.8 15.8 1.0 O A:HOH468 4.1 13.4 1.0 O A:HOH413 4.1 19.3 1.0 CB A:HIS90 4.1 17.0 1.0 N A:SER91 4.2 16.5 1.0 O A:HOH412 4.3 23.1 1.0 O2A A:COA302 4.3 18.7 1.0 NE2 A:HIS90 4.4 19.2 1.0 P2A A:COA302 4.4 22.5 1.0 O C:HOH126 4.4 28.7 1.0 O A:HOH410 4.4 18.0 1.0 O5B A:COA302 4.5 18.5 1.0 O4A A:COA302 4.5 21.6 1.0 CA A:SER91 4.5 17.2 1.0 O5A A:COA302 4.5 23.2 1.0 C5B A:COA302 4.6 17.4 1.0 CD2 A:HIS90 4.6 18.0 1.0 CB A:SER91 4.8 16.9 1.0 CB C:HIS44 4.9 16.6 1.0

P.Tufar, S.Rahighi, F.I.Kraas, D.K.Kirchner, F.Lohr, E.Henrich, J.Kopke, I.Dikic, P.Guntert, M.A.Marahiel, V.Dotsch. Crystal Structure of A Pcp/Sfp Complex Reveals the Structural Basis For Carrier Protein Posttranslational Modification. Chem.Biol. V. 21 552 2014.
ISSN: ISSN 1074-5521
PubMed: 24704508
DOI: 10.1016/J.CHEMBIOL.2014.02.014