Atomistry » Magnesium » PDB 4mq9-4nb4 » 4mrt
Atomistry »
  Magnesium »
    PDB 4mq9-4nb4 »
      4mrt »

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

Protein crystallography data

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

Magnesium Binding Sites:

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 4mrt

Go back to Magnesium Binding Sites List in 4mrt
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 4mrt

Go back to Magnesium Binding Sites List in 4mrt
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

Reference:

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
Page generated: Mon Aug 19 23:23:21 2024

Last articles

Cl in 3OKI
Cl in 3OKH
Cl in 3OJT
Cl in 3OID
Cl in 3OJP
Cl in 3OK0
Cl in 3OJN
Cl in 3OJK
Cl in 3OJJ
Cl in 3OIF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy