Atomistry » Magnesium » PDB 4hyv-4iaf » 4i3y
Atomistry »
  Magnesium »
    PDB 4hyv-4iaf »
      4i3y »

Magnesium in PDB 4i3y: Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex

Enzymatic activity of Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex

All present enzymatic activity of Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex:
3.1.3.25;

Protein crystallography data

The structure of Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex, PDB code: 4i3y was solved by A.Dutta, S.Bhattacharyya, D.Dutta, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.59 / 2.04
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 60.136, 62.819, 141.580, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 24.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex (pdb code 4i3y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex, PDB code: 4i3y:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4i3y

Go back to Magnesium Binding Sites List in 4i3y
Magnesium binding site 1 out of 4 in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex


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 Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:20.0
occ:1.00
 OD1 A:ASP88 2.0 12.0 1.0
OE2 A:GLU70 2.1 13.4 1.0
O A:ILE90 2.2 10.7 1.0
O4 A:PO4301 2.2 17.9 1.0
O A:HOH402 2.3 13.8 1.0
O3 A:PO4301 2.3 20.2 1.0
P A:PO4301 2.7 21.7 1.0
CG A:ASP88 2.9 13.3 1.0
C A:ILE90 3.2 11.3 1.0
CD A:GLU70 3.2 14.7 1.0
OD2 A:ASP88 3.2 12.7 1.0
O1 A:PO4301 3.7 17.2 1.0
OE1 A:GLU70 3.7 16.4 1.0
CA A:ASP91 3.8 12.9 1.0
O2 A:PO4301 3.8 17.7 1.0
N A:ASP91 3.9 11.6 1.0
OG1 A:THR93 4.0 12.5 1.0
MG A:MG304 4.0 20.9 1.0
N A:ILE90 4.0 12.4 1.0
OE2 A:GLU71 4.1 17.9 1.0
CA A:ILE90 4.2 10.8 1.0
CB A:ASP88 4.3 15.1 1.0
OD2 A:ASP47 4.3 14.6 1.0
CG A:GLU70 4.4 14.0 1.0
O A:HOH405 4.5 18.7 1.0
CB A:GLU70 4.5 13.7 1.0
O A:HOH401 4.5 15.8 1.0
CD A:PRO89 4.6 13.1 1.0
CA A:ASP88 4.6 15.7 1.0
N A:PRO89 4.6 14.8 1.0
C A:ASP88 4.7 15.1 1.0
CB A:ASP91 4.7 12.7 1.0
CD1 A:TRP208 4.8 13.3 1.0
OD1 A:ASP91 4.8 15.0 1.0
C A:ASP91 4.8 12.1 1.0
CB A:ILE90 4.9 11.3 1.0
OD1 A:ASP209 4.9 15.3 1.0
N A:GLY92 4.9 13.5 1.0

Magnesium binding site 2 out of 4 in 4i3y

Go back to Magnesium Binding Sites List in 4i3y
Magnesium binding site 2 out of 4 in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex


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 Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:20.9
occ:1.00
 O1 A:PO4301 2.1 17.2 1.0
O A:HOH405 2.1 18.7 1.0
O A:HOH406 2.2 20.2 1.0
OE1 A:GLU70 2.2 16.4 1.0
O A:HOH403 2.2 21.7 1.0
O4 A:PO4301 2.4 17.9 1.0
P A:PO4301 2.8 21.7 1.0
CD A:GLU70 3.2 14.7 1.0
OE2 A:GLU70 3.6 13.4 1.0
O A:LEU42 3.8 15.5 1.0
O2 A:PO4301 3.8 17.7 1.0
NZ A:LYS36 3.8 15.8 1.0
O3 A:PO4301 3.9 20.2 1.0
O A:HOH456 3.9 23.9 1.0
MG A:MG302 4.0 20.0 1.0
O A:HOH401 4.0 15.8 1.0
O A:HOH404 4.0 18.6 1.0
OE2 A:GLU71 4.1 17.9 1.0
O A:HOH450 4.1 26.9 1.0
OD1 A:ASP41 4.1 26.8 1.0
OG1 A:THR93 4.2 12.5 1.0
CE A:LYS36 4.2 18.9 1.0
CG A:GLU70 4.5 14.0 1.0
O A:HOH402 4.6 13.8 1.0
CB A:THR93 4.7 12.2 1.0
O A:HOH408 4.8 23.1 1.0
C A:LEU42 5.0 18.4 1.0

Magnesium binding site 3 out of 4 in 4i3y

Go back to Magnesium Binding Sites List in 4i3y
Magnesium binding site 3 out of 4 in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg301

b:12.3
occ:1.00
 OE2 B:GLU70 1.9 20.1 1.0
OD1 B:ASP88 2.0 13.5 1.0
O B:ILE90 2.0 13.3 1.0
O2 B:PO4302 2.1 15.0 1.0
O4 B:PO4302 2.3 16.2 1.0
O B:HOH406 2.3 14.3 1.0
P B:PO4302 2.7 17.2 1.0
CG B:ASP88 3.0 15.4 1.0
CD B:GLU70 3.1 19.4 1.0
C B:ILE90 3.2 13.0 1.0
OD2 B:ASP88 3.2 15.4 1.0
OE1 B:GLU70 3.7 19.4 1.0
O1 B:PO4302 3.7 15.8 1.0
CA B:ASP91 3.8 12.9 1.0
MG B:MG304 3.9 18.1 1.0
N B:ASP91 3.9 13.4 1.0
O3 B:PO4302 3.9 15.0 1.0
OG1 B:THR93 4.1 14.6 1.0
N B:ILE90 4.1 12.3 1.0
O B:HOH401 4.2 20.0 1.0
OD2 B:ASP47 4.2 17.8 1.0
CA B:ILE90 4.3 12.2 1.0
OE2 B:GLU71 4.3 22.2 1.0
CG B:GLU70 4.3 19.1 1.0
CB B:ASP88 4.4 14.7 1.0
CB B:GLU70 4.4 18.7 1.0
CD B:PRO89 4.5 13.8 1.0
O B:HOH404 4.5 20.8 1.0
CD1 B:TRP208 4.6 17.0 1.0
CB B:ASP91 4.7 12.8 1.0
N B:PRO89 4.7 14.8 1.0
CA B:ASP88 4.7 14.7 1.0
C B:ASP88 4.8 14.6 1.0
OD1 B:ASP91 4.8 13.2 1.0
NE1 B:TRP208 4.8 16.4 1.0
OD1 B:ASP209 4.8 16.9 1.0
C B:ASP91 4.9 12.8 1.0
N B:GLY92 4.9 12.5 1.0
CB B:ILE90 5.0 13.1 1.0

Magnesium binding site 4 out of 4 in 4i3y

Go back to Magnesium Binding Sites List in 4i3y
Magnesium binding site 4 out of 4 in the Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Staphylococcal Inositol Monophosphatase-1: 100 Mm Licl Soaked Inhibitory Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:18.1
occ:1.00
 O B:HOH407 1.9 18.6 1.0
O B:HOH403 2.0 17.3 1.0
O1 B:PO4302 2.1 15.8 1.0
OE1 B:GLU70 2.2 19.4 1.0
O B:HOH404 2.2 20.8 1.0
O4 B:PO4302 2.2 16.2 1.0
P B:PO4302 2.7 17.2 1.0
CD B:GLU70 3.1 19.4 1.0
OE2 B:GLU70 3.4 20.1 1.0
O B:LEU42 3.7 14.3 1.0
O3 B:PO4302 3.8 15.0 1.0
O B:HOH460 3.8 28.4 1.0
O2 B:PO4302 3.8 15.0 1.0
O B:HOH401 3.9 20.0 1.0
MG B:MG301 3.9 12.3 1.0
NZ B:LYS36 4.0 19.8 1.0
OD1 B:ASP41 4.0 20.7 1.0
O B:HOH458 4.0 22.8 1.0
OG1 B:THR93 4.1 14.6 1.0
CE B:LYS36 4.2 20.4 1.0
OE2 B:GLU71 4.2 22.2 1.0
O B:HOH402 4.2 19.4 1.0
CG B:GLU70 4.4 19.1 1.0
O B:HOH406 4.4 14.3 1.0
CB B:THR93 4.7 14.1 1.0
C B:LEU42 4.9 17.9 1.0
O B:HOH457 5.0 18.2 1.0

Reference:

A.Dutta, S.Bhattacharyya, D.Dutta, A.K.Das. Structural Elucidation of the Binding Site and Mode of Inhibition of Li(+) and Mg(2+) in Inositol Monophosphatase Febs J. 2014.
ISSN: ISSN 1742-464X
PubMed: 25263816
DOI: 10.1111/FEBS.13070
Page generated: Fri Aug 16 16:33:25 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy