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Calcium in PDB 1awb: Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium

Enzymatic activity of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium

All present enzymatic activity of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium:
3.1.3.25;

Protein crystallography data

The structure of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium, PDB code: 1awb was solved by J.-M.Rondeau, P.D.Pelton, P.Vincendon, A.J.Ganzhorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.370, 86.370, 153.795, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 18.9

Other elements in 1awb:

The structure of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium (pdb code 1awb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium, PDB code: 1awb:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 1 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:4.5
occ:1.00
 OE1 A:GLU70 2.2 11.6 1.0
O7 A:IPD281 2.2 15.0 1.0
O A:HOH341 2.2 14.7 1.0
O A:HOH321 2.3 11.6 1.0
O A:ILE92 2.3 2.5 1.0
OD1 A:ASP90 2.4 6.5 1.0
CD A:GLU70 3.2 8.9 1.0
CG A:ASP90 3.4 6.1 1.0
C A:ILE92 3.4 4.4 1.0
P1 A:IPD281 3.5 6.4 1.0
OE2 A:GLU70 3.5 14.3 1.0
CA A:CA278 3.7 5.5 1.0
OD2 A:ASP90 3.7 4.3 1.0
OG1 A:THR95 3.8 6.2 1.0
O8 A:IPD281 4.1 12.0 1.0
O9 A:IPD281 4.1 13.9 1.0
N A:ILE92 4.2 4.5 1.0
CA A:ASP93 4.2 4.0 1.0
OD2 A:ASP47 4.2 6.9 1.0
N A:ASP93 4.2 5.9 1.0
CA A:CA279 4.3 20.3 1.0
CA A:ILE92 4.4 2.4 1.0
CG A:GLU70 4.5 5.0 1.0
OE2 A:GLU71 4.6 6.3 1.0
O1 A:IPD281 4.7 18.2 1.0
O A:HOH337 4.7 27.6 1.0
CG A:PRO91 4.8 2.0 1.0
CD A:PRO91 4.8 2.5 1.0
CB A:ASP90 4.8 6.2 1.0
CB A:GLU70 4.8 5.5 1.0
CB A:ILE92 4.8 4.0 1.0
O A:HOH326 4.9 30.7 1.0
N A:GLY94 5.0 7.7 1.0

Calcium binding site 2 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 2 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca278

b:5.5
occ:1.00
 OD1 A:ASP220 2.1 8.7 1.0
OD2 A:ASP90 2.2 4.3 1.0
OD1 A:ASP93 2.2 8.1 1.0
O7 A:IPD281 2.3 15.0 1.0
O1 A:IPD281 2.5 18.2 1.0
O A:HOH326 2.8 30.7 1.0
P1 A:IPD281 2.9 6.4 1.0
CG A:ASP90 3.2 6.1 1.0
CG A:ASP220 3.3 11.9 1.0
CG A:ASP93 3.3 9.3 1.0
OD1 A:ASP90 3.6 6.5 1.0
CA A:CA1 3.7 4.5 1.0
C1 A:IPD281 3.8 20.8 1.0
O2 A:IPD281 3.9 21.3 1.0
CB A:ASP93 3.9 6.0 1.0
CA A:ASP93 3.9 4.0 1.0
O8 A:IPD281 3.9 12.0 1.0
OD2 A:ASP220 4.0 11.0 1.0
O9 A:IPD281 4.0 13.9 1.0
OE1 A:GLU70 4.1 11.6 1.0
C6 A:IPD281 4.2 27.5 1.0
CD1 A:TRP219 4.3 15.7 1.0
C2 A:IPD281 4.3 25.2 1.0
OD2 A:ASP93 4.3 12.7 1.0
O6 A:IPD281 4.4 28.4 1.0
CB A:ASP220 4.4 11.2 1.0
CB A:ASP90 4.5 6.2 1.0
CA A:ASP220 4.6 14.6 1.0
O A:ILE92 4.6 2.5 1.0
O A:HOH403 4.7 41.7 1.0
O A:HOH341 4.8 14.7 1.0
CD A:GLU70 4.8 8.9 1.0
NE1 A:TRP219 4.8 16.7 1.0
OE2 A:GLU70 4.8 14.3 1.0
N A:GLY94 4.9 7.7 1.0
C A:ASP93 4.9 3.3 1.0
N A:ASP93 4.9 5.9 1.0

Calcium binding site 3 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 3 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca279

b:20.3
occ:1.00
 O A:HOH416 2.2 44.6 1.0
O8 A:IPD281 2.2 12.0 1.0
OE2 A:GLU70 2.4 14.3 1.0
O A:HOH291 2.4 12.0 1.0
O A:HOH341 2.6 14.7 1.0
O A:HOH403 2.7 41.7 1.0
P1 A:IPD281 3.5 6.4 1.0
CD A:GLU70 3.6 8.9 1.0
O A:HOH337 3.7 27.6 1.0
O7 A:IPD281 3.7 15.0 1.0
OD1 A:ASP41 4.0 15.0 1.0
OE1 A:GLU70 4.1 11.6 1.0
CA A:CA1 4.3 4.5 1.0
O9 A:IPD281 4.3 13.9 1.0
O6 A:IPD281 4.4 28.4 1.0
O1 A:IPD281 4.5 18.2 1.0
O A:HOH326 4.5 30.7 1.0
O A:LEU42 4.5 10.9 1.0
NZ A:LYS36 4.6 5.9 1.0
CG A:GLU70 4.8 5.0 1.0
OG1 A:THR95 5.0 6.2 1.0

Calcium binding site 4 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 4 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca278

b:6.8
occ:1.00
 O B:ILE92 2.2 3.6 1.0
OE1 B:GLU70 2.2 21.1 1.0
O7 B:IPD1 2.3 18.3 1.0
O B:HOH308 2.3 10.4 1.0
O B:HOH321 2.4 11.5 1.0
OD1 B:ASP90 2.4 6.9 1.0
CD B:GLU70 3.3 16.5 1.0
C B:ILE92 3.3 3.2 1.0
CG B:ASP90 3.5 6.3 1.0
CA B:CA279 3.6 1.5 1.0
P1 B:IPD1 3.7 9.3 1.0
OE2 B:GLU70 3.8 16.9 1.0
OD2 B:ASP90 3.8 9.7 1.0
OG1 B:THR95 3.8 8.1 1.0
N B:ILE92 4.0 8.0 1.0
N B:ASP93 4.1 3.4 1.0
O8 B:IPD1 4.1 17.5 1.0
CA B:ASP93 4.1 2.0 1.0
OD2 B:ASP47 4.2 10.2 1.0
CA B:ILE92 4.2 4.8 1.0
CA B:CA280 4.4 20.0 1.0
O9 B:IPD1 4.4 19.8 1.0
CG B:GLU70 4.5 13.1 1.0
OE2 B:GLU71 4.6 6.0 1.0
CG B:PRO91 4.6 8.9 1.0
O B:HOH295 4.6 14.5 1.0
CD B:PRO91 4.7 9.6 1.0
CB B:ILE92 4.8 5.9 1.0
O1 B:IPD1 4.8 15.0 1.0
CB B:GLU70 4.8 12.3 1.0
CB B:ASP90 4.8 2.0 1.0
O B:HOH384 4.9 38.8 1.0
N B:PRO91 4.9 8.4 1.0
N B:GLY94 5.0 3.7 1.0

Calcium binding site 5 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 5 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca279

b:1.5
occ:1.00
 OD1 B:ASP220 2.0 13.7 1.0
OD2 B:ASP90 2.1 9.7 1.0
OD1 B:ASP93 2.2 2.6 1.0
O7 B:IPD1 2.2 18.3 1.0
O1 B:IPD1 2.5 15.0 1.0
P1 B:IPD1 2.9 9.3 1.0
CG B:ASP90 3.1 6.3 1.0
CG B:ASP93 3.2 7.2 1.0
CG B:ASP220 3.2 14.0 1.0
OD1 B:ASP90 3.4 6.9 1.0
CA B:ASP93 3.5 2.0 1.0
CB B:ASP93 3.6 2.4 1.0
CA B:CA278 3.6 6.8 1.0
O2 B:IPD1 3.8 18.5 1.0
O B:HOH384 3.8 38.8 1.0
C1 B:IPD1 3.9 15.6 1.0
O9 B:IPD1 3.9 19.8 1.0
O8 B:IPD1 4.0 17.5 1.0
OD2 B:ASP220 4.0 15.1 1.0
CB B:ASP220 4.2 11.9 1.0
OD2 B:ASP93 4.2 8.7 1.0
CA B:ASP220 4.3 15.3 1.0
OE1 B:GLU70 4.3 21.1 1.0
O B:ILE92 4.3 3.6 1.0
C2 B:IPD1 4.3 18.8 1.0
CD1 B:TRP219 4.4 4.2 1.0
CB B:ASP90 4.4 2.0 1.0
C6 B:IPD1 4.5 21.6 1.0
C B:ASP93 4.5 6.6 1.0
N B:ASP93 4.5 3.4 1.0
N B:GLY94 4.5 3.7 1.0
O6 B:IPD1 4.7 25.9 1.0
NE1 B:TRP219 4.8 6.1 1.0
C B:ILE92 4.8 3.2 1.0
N B:ASP220 4.9 16.2 1.0
O B:HOH308 4.9 10.4 1.0

Calcium binding site 6 out of 6 in 1awb

Go back to Calcium Binding Sites List in 1awb
Calcium binding site 6 out of 6 in the Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Myo-Inositol Monophosphatase in Complex with D-Inositol-1- Phosphate and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca280

b:20.0
occ:1.00
 OE2 B:GLU70 2.2 16.9 1.0
O B:HOH375 2.3 21.4 1.0
O8 B:IPD1 2.4 17.5 1.0
O B:HOH399 2.5 37.0 1.0
O B:HOH308 3.0 10.4 1.0
O B:HOH384 3.3 38.8 1.0
CD B:GLU70 3.4 16.5 1.0
P1 B:IPD1 3.7 9.3 1.0
OE1 B:GLU70 3.8 21.1 1.0
OD1 B:ASP41 3.9 23.5 1.0
O7 B:IPD1 3.9 18.3 1.0
O B:HOH295 3.9 14.5 1.0
O B:HOH376 4.3 55.0 1.0
NZ B:LYS36 4.3 13.3 1.0
CA B:CA278 4.4 6.8 1.0
O1 B:IPD1 4.5 15.0 1.0
O6 B:IPD1 4.5 25.9 1.0
CG B:GLU70 4.6 13.1 1.0
O9 B:IPD1 4.7 19.8 1.0
O B:LEU42 4.7 9.8 1.0
O B:HOH291 5.0 6.5 1.0

Reference:

A.J.Ganzhorn, J.-M.Rondeau. Structure of An Enzyme-Substrate Complex and the Catalytic Mechanism of Human Brain Myo-Inositol Monophosphatase Protein Eng. V. 10 61 1997.
ISSN: ISSN 0269-2139
Page generated: Thu Jul 11 06:08:28 2024

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