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Magnesium in PDB 4i3e: Crystal Structure of Staphylococcal Impase - I Complexed with Products.

Enzymatic activity of Crystal Structure of Staphylococcal Impase - I Complexed with Products.

All present enzymatic activity of Crystal Structure of Staphylococcal Impase - I Complexed with Products.:
3.1.3.25;

Protein crystallography data

The structure of Crystal Structure of Staphylococcal Impase - I Complexed with Products., PDB code: 4i3e was solved by S.Bhattacharyya, A.Dutta, D.Dutta, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.71 / 2.60
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 60.327, 62.510, 140.925, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 26

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcal Impase - I Complexed with Products. (pdb code 4i3e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Staphylococcal Impase - I Complexed with Products., PDB code: 4i3e:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 4i3e

Go back to Magnesium Binding Sites List in 4i3e
Magnesium binding site 1 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


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 Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:11.4
occ:1.00
 O A:HOH403 2.0 22.7 1.0
O A:HOH405 2.0 24.9 1.0
O A:HOH404 2.1 17.6 1.0
OE1 A:GLU70 2.4 19.9 1.0
O1 A:PO4302 2.7 23.4 1.0
O4 A:PO4302 2.8 23.5 1.0
P A:PO4302 3.3 23.3 1.0
CD A:GLU70 3.4 20.4 1.0
NZ A:LYS36 3.5 33.1 1.0
O A:LEU42 3.5 17.6 1.0
OD1 A:ASP41 3.8 22.7 1.0
OE2 A:GLU70 3.9 20.5 1.0
CE A:LYS36 4.1 32.7 1.0
OG1 A:THR93 4.2 17.3 1.0
O2 A:PO4302 4.2 21.6 1.0
OE2 A:GLU71 4.2 19.3 1.0
MG A:MG305 4.4 22.6 1.0
O A:HOH402 4.4 17.8 1.0
O A:HOH406 4.5 16.2 1.0
O3 A:PO4302 4.5 23.5 1.0
CG A:GLU70 4.5 20.9 1.0
C A:LEU42 4.6 18.8 1.0
O A:HOH401 4.7 20.2 1.0
CB A:THR93 4.8 16.1 1.0
CG A:ASP41 4.9 22.3 1.0
N A:LEU42 5.0 20.4 1.0

Magnesium binding site 2 out of 6 in 4i3e

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Magnesium binding site 2 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


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 Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:22.7
occ:1.00
 O3 A:PO4302 1.5 23.5 1.0
OD1 A:ASP209 2.0 21.0 1.0
O A:HOH402 2.1 17.8 1.0
OD2 A:ASP88 2.1 18.4 1.0
OD1 A:ASP91 2.3 17.6 1.0
O2 A:GOL303 2.6 36.1 1.0
P A:PO4302 2.9 23.3 1.0
CG A:ASP209 3.1 20.9 1.0
CG A:ASP88 3.1 19.4 1.0
O1 A:PO4302 3.4 23.4 1.0
CG A:ASP91 3.4 17.9 1.0
MG A:MG305 3.5 22.6 1.0
OD1 A:ASP88 3.5 18.8 1.0
C3 A:GOL303 3.6 34.4 1.0
C2 A:GOL303 3.6 34.3 1.0
OD2 A:ASP209 3.7 23.2 1.0
O4 A:PO4302 3.7 23.5 1.0
CA A:ASP91 3.8 18.0 1.0
O2 A:PO4302 3.9 21.6 1.0
CB A:ASP91 3.9 17.9 1.0
OE2 A:GLU70 4.1 20.5 1.0
CD1 A:TRP208 4.1 22.0 1.0
CB A:ASP209 4.3 20.3 1.0
NE1 A:TRP208 4.4 22.4 1.0
CB A:ASP88 4.5 19.9 1.0
OE1 A:GLU70 4.5 19.9 1.0
CA A:ASP209 4.5 19.8 1.0
OD2 A:ASP91 4.5 17.6 1.0
CD A:GLU70 4.5 20.4 1.0
N A:GLY92 4.6 18.3 1.0
O A:ILE90 4.7 18.6 1.0
C A:ASP91 4.7 18.4 1.0
C1 A:GOL303 4.8 35.3 1.0
N A:ASP91 4.8 18.6 1.0
N A:ASP209 4.9 19.9 1.0

Magnesium binding site 3 out of 6 in 4i3e

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Magnesium binding site 3 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


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 Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:22.6
occ:1.00
 OD1 A:ASP88 1.8 18.8 1.0
OE2 A:GLU70 2.0 20.5 1.0
O A:HOH401 2.0 20.2 1.0
O4 A:PO4302 2.0 23.5 1.0
O A:ILE90 2.2 18.6 1.0
O3 A:PO4302 2.8 23.5 1.0
CG A:ASP88 2.8 19.4 1.0
P A:PO4302 2.9 23.3 1.0
C A:ILE90 3.0 18.8 1.0
CD A:GLU70 3.1 20.4 1.0
OD2 A:ASP88 3.2 18.4 1.0
MG A:MG304 3.5 22.7 1.0
OE1 A:GLU70 3.5 19.9 1.0
N A:ASP91 3.6 18.6 1.0
O A:HOH402 3.6 17.8 1.0
CA A:ASP91 3.7 18.0 1.0
O2 A:PO4302 4.0 21.6 1.0
O1 A:PO4302 4.0 23.4 1.0
OG1 A:THR93 4.0 17.3 1.0
N A:ILE90 4.0 19.7 1.0
CA A:ILE90 4.1 18.8 1.0
O A:HOH403 4.2 22.7 1.0
CB A:ASP88 4.2 19.9 1.0
OD2 A:ASP47 4.2 18.7 1.0
CG A:GLU70 4.3 20.9 1.0
MG A:MG301 4.4 11.4 1.0
CD A:PRO89 4.4 20.9 1.0
OE2 A:GLU71 4.4 19.3 1.0
CA A:ASP88 4.5 20.4 1.0
CB A:GLU70 4.6 21.6 1.0
CB A:ASP91 4.6 17.9 1.0
C A:ASP88 4.6 21.1 1.0
N A:PRO89 4.6 20.9 1.0
OD1 A:ASP91 4.7 17.6 1.0
C A:ASP91 4.8 18.4 1.0
N A:GLY92 4.8 18.3 1.0
CB A:ILE90 4.9 18.6 1.0
CG A:PRO89 4.9 21.3 1.0

Magnesium binding site 4 out of 6 in 4i3e

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Magnesium binding site 4 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


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 Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:18.9
occ:1.00
 OE1 B:GLU70 2.2 15.0 1.0
O2 B:PO4301 2.2 13.9 1.0
O B:HOH402 2.4 16.2 1.0
O4 B:PO4301 2.4 13.7 1.0
O B:HOH403 2.7 31.1 1.0
P B:PO4301 2.8 14.3 1.0
CD B:GLU70 3.2 16.2 1.0
OE2 B:GLU70 3.6 16.3 1.0
MG B:MG305 3.8 15.6 1.0
O1 B:PO4301 3.9 14.5 1.0
O3 B:PO4301 4.0 13.6 1.0
OD1 B:ASP41 4.1 39.2 1.0
O B:LEU42 4.1 20.7 1.0
NZ B:LYS36 4.2 21.3 1.0
OE2 B:GLU71 4.3 21.8 1.0
OG1 B:THR93 4.3 11.2 1.0
CG B:GLU70 4.5 17.0 1.0
CE B:LYS36 4.6 22.4 1.0
O B:HOH401 4.7 16.9 1.0
O2 B:GOL303 4.8 24.4 1.0
CB B:THR93 4.9 11.5 1.0

Magnesium binding site 5 out of 6 in 4i3e

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Magnesium binding site 5 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Staphylococcal Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:21.8
occ:1.00
 O1 B:PO4301 1.7 14.5 1.0
OD1 B:ASP209 2.0 15.7 1.0
OD1 B:ASP91 2.0 10.6 1.0
OD2 B:ASP88 2.1 17.1 1.0
O2 B:GOL303 2.1 24.4 1.0
CG B:ASP91 3.1 11.3 1.0
C2 B:GOL303 3.2 25.9 1.0
P B:PO4301 3.2 14.3 1.0
CG B:ASP209 3.2 15.3 1.0
C3 B:GOL303 3.2 26.5 1.0
CG B:ASP88 3.2 18.4 1.0
O2 B:PO4301 3.6 13.9 1.0
CB B:ASP91 3.7 11.6 1.0
MG B:MG305 3.7 15.6 1.0
CA B:ASP91 3.8 11.9 1.0
OD1 B:ASP88 3.8 18.9 1.0
O3 B:PO4301 3.9 13.6 1.0
OD2 B:ASP209 4.0 15.2 1.0
CB B:ASP209 4.1 15.5 1.0
OD2 B:ASP91 4.1 11.2 1.0
O4 B:PO4301 4.3 13.7 1.0
CA B:ASP209 4.3 15.5 1.0
OE2 B:GLU70 4.4 16.3 1.0
C1 B:GOL303 4.4 25.4 1.0
CD1 B:TRP208 4.4 17.1 1.0
N B:GLY92 4.4 12.1 1.0
CB B:ASP88 4.4 18.6 1.0
O3 B:GOL303 4.5 27.5 1.0
C B:ASP91 4.6 12.2 1.0
O B:ILE90 4.7 12.1 1.0
NE1 B:TRP208 4.8 17.2 1.0
N B:ASP209 4.8 16.0 1.0
N B:ASP91 4.9 12.4 1.0

Magnesium binding site 6 out of 6 in 4i3e

Go back to Magnesium Binding Sites List in 4i3e
Magnesium binding site 6 out of 6 in the Crystal Structure of Staphylococcal Impase - I Complexed with Products.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Staphylococcal Impase - I Complexed with Products. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg305

b:15.6
occ:1.00
 O B:ILE90 1.9 12.1 1.0
O4 B:PO4301 2.0 13.7 1.0
OD1 B:ASP88 2.1 18.9 1.0
O B:HOH401 2.2 16.9 1.0
OE2 B:GLU70 2.3 16.3 1.0
O1 B:PO4301 2.4 14.5 1.0
P B:PO4301 2.7 14.3 1.0
C B:ILE90 3.0 12.9 1.0
CG B:ASP88 3.1 18.4 1.0
OD2 B:ASP88 3.3 17.1 1.0
CD B:GLU70 3.3 16.2 1.0
OG1 B:THR93 3.6 11.2 1.0
CA B:ASP91 3.6 11.9 1.0
OE1 B:GLU70 3.7 15.0 1.0
O3 B:PO4301 3.7 13.6 1.0
O2 B:PO4301 3.7 13.9 1.0
MG B:MG304 3.7 21.8 1.0
N B:ASP91 3.7 12.4 1.0
MG B:MG302 3.8 18.9 1.0
OE2 B:GLU71 4.1 21.8 1.0
N B:ILE90 4.1 15.1 1.0
CA B:ILE90 4.2 13.8 1.0
OD2 B:ASP47 4.2 19.1 1.0
O B:HOH402 4.4 16.2 1.0
CB B:ASP88 4.5 18.6 1.0
C B:ASP91 4.6 12.2 1.0
CG B:GLU70 4.6 17.0 1.0
CB B:ASP91 4.7 11.6 1.0
N B:GLY92 4.7 12.1 1.0
CD B:PRO89 4.7 19.2 1.0
CB B:ILE90 4.7 13.2 1.0
OD1 B:ASP91 4.8 10.6 1.0
CB B:GLU70 4.8 17.4 1.0
O2 B:GOL303 4.8 24.4 1.0
CA B:ASP88 4.8 18.8 1.0
C B:ASP88 4.9 18.9 1.0
N B:PRO89 4.9 18.7 1.0
CB B:THR93 4.9 11.5 1.0

Reference:

S.Bhattacharyya, A.Dutta, D.Dutta, A.K.Das. Crystal Structure of Staphylococcal Impase - I Complexed with Products. To Be Published.
Page generated: Fri Aug 16 16:32:51 2024

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