Atomistry » Magnesium » PDB 4fs5-4g7f » 4g61
Atomistry »
  Magnesium »
    PDB 4fs5-4g7f »
      4g61 »

Magnesium in PDB 4g61: Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate

Enzymatic activity of Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate

All present enzymatic activity of Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate:
3.1.3.25;

Protein crystallography data

The structure of Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate, PDB code: 4g61 was solved by S.Bhattacharyya, D.Dutta, A.K.Ghosh, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.67 / 2.30
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 60.709, 63.054, 141.617, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 25.5

Other elements in 4g61:

The structure of Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate (pdb code 4g61). 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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate, PDB code: 4g61:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 1 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:22.9
occ:1.00
 O2 A:PO4303 1.9 19.3 1.0
OD1 A:ASP91 2.0 15.1 1.0
OD1 A:ASP209 2.1 12.5 1.0
O4 A:PO4303 2.1 15.4 1.0
OD2 A:ASP88 2.3 19.2 1.0
P A:PO4303 2.5 20.9 1.0
O A:HOH405 3.1 14.7 1.0
CG A:ASP91 3.2 13.4 1.0
CG A:ASP209 3.3 12.5 1.0
CG A:ASP88 3.4 16.5 1.0
O1 A:PO4303 3.5 14.8 1.0
O1 A:GOL305 3.6 33.6 1.0
O2 A:GOL305 3.7 37.5 1.0
MG A:MG302 3.7 15.1 1.0
O3 A:PO4303 3.7 16.6 1.0
OD1 A:ASP88 3.8 12.2 1.0
CA A:ASP91 3.8 12.1 1.0
CB A:ASP91 3.8 10.5 1.0
C1 A:GOL305 4.0 34.6 1.0
OD2 A:ASP209 4.0 13.3 1.0
OD2 A:ASP91 4.2 13.2 1.0
OE2 A:GLU70 4.2 10.5 1.0
CB A:ASP209 4.3 13.2 1.0
C2 A:GOL305 4.3 36.3 1.0
N A:GLY92 4.4 12.3 1.0
CD1 A:TRP208 4.4 8.4 1.0
CA A:ASP209 4.5 13.7 1.0
O A:ILE90 4.6 11.0 1.0
C A:ASP91 4.6 12.1 1.0
O A:HOH403 4.7 2.6 1.0
CB A:ASP88 4.7 15.3 1.0
NE1 A:TRP208 4.8 10.2 1.0
N A:ASP91 4.9 10.4 1.0
N A:ASP209 4.9 15.1 1.0
CD A:GLU70 4.9 14.1 1.0

Magnesium binding site 2 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 2 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:15.1
occ:1.00
 O4 A:PO4303 1.9 15.4 1.0
OD1 A:ASP88 2.0 12.2 1.0
O A:ILE90 2.0 11.0 1.0
OE2 A:GLU70 2.0 10.5 1.0
O A:HOH401 2.2 5.8 1.0
O A:HOH403 2.3 2.6 1.0
CG A:ASP88 3.0 16.5 1.0
C A:ILE90 3.1 11.2 1.0
CD A:GLU70 3.1 14.1 1.0
P A:PO4303 3.2 20.9 1.0
OD2 A:ASP88 3.3 19.2 1.0
OE1 A:GLU70 3.6 10.8 1.0
O1 A:PO4303 3.7 14.8 1.0
MG A:MG301 3.7 22.9 1.0
N A:ASP91 3.8 10.4 1.0
O3 A:PO4303 3.8 16.6 1.0
CA A:ASP91 3.8 12.1 1.0
N A:ILE90 4.0 13.1 1.0
MG A:MG304 4.0 16.6 1.0
OE2 A:GLU71 4.1 14.8 1.0
OG1 A:THR93 4.1 12.9 1.0
CA A:ILE90 4.1 10.9 1.0
OD2 A:ASP47 4.2 13.9 1.0
CB A:ASP88 4.3 15.3 1.0
O A:HOH402 4.3 3.4 1.0
O2 A:PO4303 4.3 19.3 1.0
CG A:GLU70 4.4 14.1 1.0
CD A:PRO89 4.4 15.2 1.0
CB A:GLU70 4.5 15.2 1.0
N A:PRO89 4.5 16.0 1.0
CA A:ASP88 4.6 16.1 1.0
O A:HOH405 4.6 14.7 1.0
C A:ASP88 4.6 15.9 1.0
OD1 A:ASP91 4.7 15.1 1.0
CB A:ASP91 4.7 10.5 1.0
CB A:ILE90 4.8 11.1 1.0
C A:ASP91 4.9 12.1 1.0
CD1 A:TRP208 4.9 8.4 1.0
N A:GLY92 4.9 12.3 1.0
CG A:PRO89 4.9 15.3 1.0

Magnesium binding site 3 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 3 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:16.6
occ:1.00
 O1 A:PO4303 1.9 14.8 1.0
O A:HOH407 2.1 18.6 1.0
O A:HOH402 2.1 3.4 1.0
O A:HOH404 2.2 13.1 1.0
OE1 A:GLU70 2.2 10.8 1.0
O A:HOH403 2.4 2.6 1.0
P A:PO4303 3.1 20.9 1.0
CD A:GLU70 3.3 14.1 1.0
O3 A:PO4303 3.5 16.6 1.0
OE2 A:GLU70 3.7 10.5 1.0
O4 A:PO4303 3.7 15.4 1.0
NZ A:LYS36 3.8 18.3 1.0
O A:LEU42 3.8 15.2 1.0
MG A:MG302 4.0 15.1 1.0
CE A:LYS36 4.1 21.6 1.0
OE2 A:GLU71 4.1 14.8 1.0
O A:HOH405 4.1 14.7 1.0
OG1 A:THR93 4.2 12.9 1.0
O A:HOH443 4.2 13.1 1.0
OD1 A:ASP41 4.2 18.1 1.0
O2 A:PO4303 4.3 19.3 1.0
CG A:GLU70 4.6 14.1 1.0
O A:HOH406 4.7 6.8 1.0
O A:HOH401 4.7 5.8 1.0
CB A:THR93 4.8 10.9 1.0

Magnesium binding site 4 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 4 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:24.4
occ:1.00
 O1 B:PO4301 1.9 24.3 1.0
OD1 B:ASP209 1.9 16.1 1.0
OD1 B:ASP91 2.1 13.4 1.0
OD2 B:ASP88 2.2 17.5 1.0
O4 B:PO4301 2.6 24.9 1.0
P B:PO4301 2.8 25.1 1.0
O B:HOH473 3.1 17.5 1.0
CG B:ASP209 3.1 15.2 1.0
CG B:ASP91 3.2 11.2 1.0
O2 B:GOL305 3.3 38.4 1.0
CG B:ASP88 3.4 14.2 1.0
CB B:ASP91 3.7 11.6 1.0
CA B:ASP91 3.8 12.6 1.0
O1 B:GOL305 3.8 28.4 1.0
O3 B:PO4301 3.8 22.8 1.0
OD1 B:ASP88 3.8 14.3 1.0
MG B:MG303 3.9 19.4 1.0
OD2 B:ASP209 3.9 17.9 1.0
O2 B:PO4301 4.0 21.0 1.0
CB B:ASP209 4.1 13.4 1.0
OE2 B:GLU70 4.2 12.5 1.0
CA B:ASP209 4.3 13.5 1.0
OD2 B:ASP91 4.3 10.2 1.0
CD1 B:TRP208 4.3 12.2 1.0
C2 B:GOL305 4.4 38.0 1.0
N B:GLY92 4.6 12.1 1.0
CB B:ASP88 4.6 13.2 1.0
C B:ASP91 4.6 12.2 1.0
C1 B:GOL305 4.6 33.9 1.0
NE1 B:TRP208 4.6 11.4 1.0
O B:ILE90 4.7 12.0 1.0
O B:HOH406 4.7 6.0 1.0
N B:ASP209 4.8 14.1 1.0
O B:HOH474 4.8 24.1 1.0
N B:ASP91 4.8 12.7 1.0

Magnesium binding site 5 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 5 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:19.4
occ:1.00
 O4 B:PO4301 1.7 24.9 1.0
O B:ILE90 1.9 12.0 1.0
OE2 B:GLU70 2.0 12.5 1.0
OD1 B:ASP88 2.0 14.3 1.0
O B:HOH406 2.2 6.0 1.0
O B:HOH401 2.2 10.0 1.0
C B:ILE90 2.9 12.2 1.0
CG B:ASP88 3.1 14.2 1.0
P B:PO4301 3.1 25.1 1.0
CD B:GLU70 3.1 16.7 1.0
OD2 B:ASP88 3.4 17.5 1.0
N B:ASP91 3.7 12.7 1.0
O3 B:PO4301 3.7 22.8 1.0
OE1 B:GLU70 3.7 17.2 1.0
CA B:ASP91 3.7 12.6 1.0
O2 B:PO4301 3.8 21.0 1.0
N B:ILE90 3.9 12.1 1.0
MG B:MG304 3.9 22.0 1.0
MG B:MG302 3.9 24.4 1.0
CA B:ILE90 4.0 11.7 1.0
OG1 B:THR93 4.0 14.1 1.0
O1 B:PO4301 4.1 24.3 1.0
OD2 B:ASP47 4.2 19.4 1.0
CG B:GLU70 4.3 15.8 1.0
OE2 B:GLU71 4.3 18.0 1.0
CD B:PRO89 4.3 13.1 1.0
O B:HOH473 4.3 17.5 1.0
CB B:ASP88 4.4 13.2 1.0
N B:PRO89 4.5 13.2 1.0
O B:HOH405 4.5 8.9 1.0
CB B:GLU70 4.5 16.3 1.0
C B:ASP88 4.6 13.6 1.0
CB B:ASP91 4.6 11.6 1.0
CA B:ASP88 4.7 14.3 1.0
CB B:ILE90 4.7 11.2 1.0
C B:ASP91 4.9 12.2 1.0
CG B:PRO89 4.9 14.2 1.0
CD1 B:TRP208 5.0 12.2 1.0
N B:GLY92 5.0 12.1 1.0
OD1 B:ASP91 5.0 13.4 1.0

Magnesium binding site 6 out of 6 in 4g61

Go back to Magnesium Binding Sites List in 4g61
Magnesium binding site 6 out of 6 in the Crystal Structure of Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate


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 Impase/Nadp Phosphatase Complexed with MG2+ and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:22.0
occ:1.00
 O3 B:PO4301 1.8 22.8 1.0
O B:HOH404 2.0 13.2 1.0
O B:HOH403 2.1 9.6 1.0
O B:HOH405 2.1 8.9 1.0
OE1 B:GLU70 2.1 17.2 1.0
O B:HOH406 2.2 6.0 1.0
P B:PO4301 3.0 25.1 1.0
CD B:GLU70 3.1 16.7 1.0
O4 B:PO4301 3.4 24.9 1.0
OE2 B:GLU70 3.4 12.5 1.0
O2 B:PO4301 3.6 21.0 1.0
O B:HOH473 3.7 17.5 1.0
NZ B:LYS36 3.8 24.8 1.0
O B:HOH474 3.9 24.1 1.0
MG B:MG303 3.9 19.4 1.0
O B:LEU42 3.9 17.3 1.0
OD1 B:ASP41 4.0 19.9 1.0
OE2 B:GLU71 4.1 18.0 1.0
OG1 B:THR93 4.3 14.1 1.0
O1 B:PO4301 4.3 24.3 1.0
O B:HOH401 4.3 10.0 1.0
CE B:LYS36 4.3 25.8 1.0
CG B:GLU70 4.4 15.8 1.0
O B:HOH402 4.7 9.7 1.0
CB B:THR93 4.7 10.5 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: Mon Dec 14 16:01:31 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy