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 3K8S
Cl in 3K9D
Cl in 3K9T
Cl in 3K9Q
Cl in 3K98
Cl in 3K8X
Cl in 3K93
Cl in 3K97
Cl in 3K84
Cl in 3K7F
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy