Atomistry » Calcium » PDB 1aui-1b82 » 1awb
Atomistry »
  Calcium »
    PDB 1aui-1b82 »
      1awb »

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: Sat Dec 12 02:48:54 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy