Calcium in PDB 3hr4: Human Inos Reductase and Calmodulin Complex

All present enzymatic activity of Human Inos Reductase and Calmodulin Complex:
1.14.13.39;

The structure of Human Inos Reductase and Calmodulin Complex, PDB code: 3hr4 was solved by C.Xia, I.Misra, T.Iyanaki, J.J.K.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.69 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.600, 160.840, 127.770, 90.00, 90.37, 90.00
R / Rfree (%)	23.7 / 30.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Human Inos Reductase and Calmodulin Complex (pdb code 3hr4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Human Inos Reductase and Calmodulin Complex, PDB code: 3hr4:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:44.5 occ:1.00 O B:HOH152 2.2 50.1 1.0 OE1 B:GLU31 2.3 43.1 1.0 OD1 B:ASP20 2.3 49.0 1.0 OD2 B:ASP24 2.5 57.3 1.0 O B:THR26 2.5 44.3 1.0 OE2 B:GLU31 2.6 45.8 1.0 CD B:GLU31 2.8 46.4 1.0 OD1 B:ASP22 2.8 63.0 1.0 OD2 B:ASP22 2.9 63.8 1.0 CG B:ASP22 3.1 60.1 1.0 CG B:ASP20 3.3 49.4 1.0 CG B:ASP24 3.3 55.8 1.0 OD1 B:ASP24 3.6 59.5 1.0 C B:THR26 3.7 44.2 1.0 CA B:ASP20 3.8 50.3 1.0 CB B:ASP20 3.9 49.4 1.0 N B:ASP24 4.2 48.3 1.0 C B:ASP20 4.2 52.0 1.0 OD2 B:ASP20 4.2 46.3 1.0 N B:ASP22 4.3 54.1 1.0 CG B:GLU31 4.3 45.2 1.0 OG1 B:THR26 4.3 44.8 1.0 CB B:ASP22 4.4 58.4 1.0 N B:GLY23 4.4 53.2 1.0 N B:THR26 4.4 44.6 1.0 CB B:ASP24 4.5 50.4 1.0 N B:LYS21 4.6 52.9 1.0 O B:ASP20 4.6 53.7 1.0 CA B:ILE27 4.6 41.1 1.0 N B:ILE27 4.6 44.3 1.0 CA B:ASP22 4.7 55.5 1.0 CA B:THR26 4.7 44.2 1.0 C B:ASP22 4.8 55.3 1.0 CA B:ASP24 4.8 48.2 1.0 N B:GLY25 4.9 45.2 1.0

Calcium binding site 2 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:41.4 occ:1.00 OD1 B:ASN60 2.2 45.5 1.0 O B:THR62 2.2 36.0 1.0 OD2 B:ASP58 2.3 59.0 1.0 OE2 B:GLU67 2.5 40.5 1.0 OE1 B:GLU67 2.6 42.4 1.0 OD1 B:ASP56 2.8 47.7 1.0 CD B:GLU67 2.9 40.4 1.0 CG B:ASP58 3.0 55.3 1.0 OD1 B:ASP58 3.1 56.3 1.0 CG B:ASN60 3.2 45.6 1.0 C B:THR62 3.3 37.1 1.0 ND2 B:ASN60 3.7 45.5 1.0 CA B:ILE63 4.0 35.8 1.0 CG B:ASP56 4.1 48.1 1.0 N B:ILE63 4.1 37.9 1.0 N B:ASP64 4.1 37.5 1.0 N B:THR62 4.2 39.0 1.0 CA B:THR62 4.3 37.3 1.0 OD2 B:ASP64 4.3 43.6 1.0 CG B:GLU67 4.4 38.1 1.0 OG1 B:THR62 4.4 41.4 1.0 CB B:ASN60 4.4 46.2 1.0 CB B:ASP58 4.5 50.9 1.0 C B:ILE63 4.5 35.9 1.0 N B:ASN60 4.5 45.9 1.0 CG B:ASP64 4.5 40.2 1.0 CA B:ASP56 4.6 47.3 1.0 N B:ASP58 4.6 47.6 1.0 CB B:ASP56 4.7 48.0 1.0 OD1 B:ASP64 4.8 40.2 1.0 CA B:ASN60 4.8 46.0 1.0 CA B:ASP58 5.0 49.6 1.0

Calcium binding site 3 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:61.6 occ:1.00 OD1 B:ASN97 2.1 69.9 1.0 OD1 B:ASP93 2.2 65.8 1.0 O B:TYR99 2.2 63.5 1.0 OD1 B:ASP95 2.3 78.3 1.0 OE1 B:GLU104 2.4 55.5 1.0 OE2 B:GLU104 2.6 57.3 1.0 CD B:GLU104 2.8 57.6 1.0 CG B:ASP95 3.0 75.9 1.0 OD2 B:ASP95 3.0 76.2 1.0 CG B:ASP93 3.0 64.4 1.0 CG B:ASN97 3.2 70.9 1.0 C B:TYR99 3.4 63.6 1.0 OD2 B:ASP93 3.7 64.0 1.0 CA B:ASP93 3.8 64.5 1.0 CB B:ASP93 3.9 63.9 1.0 ND2 B:ASN97 3.9 70.2 1.0 N B:ASN97 4.2 72.5 1.0 N B:TYR99 4.2 64.0 1.0 CB B:ASN97 4.2 71.5 1.0 CG B:GLU104 4.3 59.7 1.0 N B:ASP95 4.3 72.0 1.0 C B:ASP93 4.3 65.8 1.0 CA B:TYR99 4.3 63.7 1.0 N B:ILE100 4.4 62.5 1.0 CB B:ASP95 4.4 74.7 1.0 CA B:ILE100 4.4 61.8 1.0 N B:LYS94 4.4 68.1 1.0 N B:GLY96 4.5 73.4 1.0 N B:SER101 4.5 63.8 1.0 CA B:ASN97 4.7 71.9 1.0 CA B:ASP95 4.7 73.1 1.0 N B:GLY98 4.9 70.6 1.0 CB B:TYR99 4.9 64.9 1.0 C B:ASP95 4.9 73.8 1.0 C B:ASN97 5.0 71.8 1.0

Calcium binding site 4 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:77.7 occ:1.00 OD2 B:ASP129 2.2 78.8 1.0 OD2 B:ASP133 2.2 85.5 1.0 O B:GLN135 2.5 81.2 1.0 OE1 B:GLU140 2.5 80.2 1.0 OE2 B:GLU140 2.6 79.8 1.0 OD1 B:ASP131 2.8 76.4 1.0 CD B:GLU140 2.9 79.3 1.0 CG B:ASP133 2.9 85.2 1.0 OD1 B:ASP133 3.2 84.8 1.0 CG B:ASP131 3.3 77.9 1.0 CG B:ASP129 3.3 80.6 1.0 OD2 B:ASP131 3.5 77.6 1.0 C B:GLN135 3.5 81.3 1.0 OD1 B:ASP129 3.9 80.2 1.0 N B:ASP131 4.1 80.6 1.0 N B:ASP133 4.1 83.4 1.0 CB B:ASP133 4.2 84.9 1.0 N B:GLN135 4.3 82.7 1.0 CA B:GLN135 4.3 82.2 1.0 CA B:ASP129 4.4 83.4 1.0 N B:VAL136 4.4 80.1 1.0 CB B:ASP129 4.4 81.7 1.0 CG B:GLU140 4.4 78.0 1.0 C B:ASP131 4.4 80.3 1.0 C B:ASP129 4.5 83.6 1.0 CB B:ASP131 4.5 78.7 1.0 CA B:ASP131 4.5 80.1 1.0 CA B:VAL136 4.5 78.7 1.0 N B:ILE130 4.5 83.0 1.0 N B:ASN137 4.6 77.4 1.0 CA B:ASP133 4.6 84.4 1.0 CB B:GLN135 4.6 82.6 1.0 N B:GLY132 4.6 80.6 1.0 O B:ASP131 4.8 80.6 1.0 OD1 B:ASN137 4.8 76.9 1.0 CG B:ASN137 4.8 77.0 1.0 C B:ASP133 4.9 84.5 1.0 O B:ASP129 5.0 84.7 1.0

Calcium binding site 5 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:43.6 occ:1.00 O D:HOH162 2.1 47.7 1.0 OE2 D:GLU31 2.2 44.4 1.0 OD2 D:ASP24 2.4 52.8 1.0 OD1 D:ASP20 2.4 42.6 1.0 O D:THR26 2.6 38.7 1.0 OD1 D:ASP22 2.7 53.4 1.0 OE1 D:GLU31 2.8 45.3 1.0 CD D:GLU31 2.8 44.7 1.0 OD2 D:ASP22 3.0 51.1 1.0 CG D:ASP22 3.1 50.8 1.0 CG D:ASP24 3.2 51.1 1.0 CG D:ASP20 3.3 42.2 1.0 OD1 D:ASP24 3.8 50.5 1.0 C D:THR26 3.8 37.0 1.0 CA D:ASP20 3.8 42.4 1.0 N D:ASP24 3.8 46.9 1.0 CB D:ASP20 4.0 42.2 1.0 OD2 D:ASP20 4.2 41.6 1.0 C D:ASP20 4.2 42.4 1.0 N D:THR26 4.2 36.5 1.0 N D:GLY23 4.2 48.5 1.0 CB D:ASP24 4.2 48.6 1.0 N D:ASP22 4.2 47.0 1.0 CG D:GLU31 4.3 43.0 1.0 CB D:ASP22 4.4 47.4 1.0 CA D:ASP24 4.4 46.3 1.0 OG1 D:THR26 4.5 38.3 1.0 CA D:THR26 4.6 35.9 1.0 N D:LYS21 4.6 43.4 1.0 O D:ASP20 4.6 42.8 1.0 CA D:ASP22 4.6 48.4 1.0 N D:GLY25 4.7 43.6 1.0 C D:ASP22 4.7 48.8 1.0 C D:ASP24 4.7 45.0 1.0 N D:ILE27 4.7 36.3 1.0 C D:GLY23 4.8 46.4 1.0 CA D:ILE27 4.8 32.9 1.0 CA D:GLY23 4.9 45.9 1.0 CG2 D:THR28 5.0 42.3 1.0

Calcium binding site 6 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:43.4 occ:1.00 O D:HOH161 2.1 41.6 1.0 OD1 D:ASN60 2.3 49.8 1.0 OD1 D:ASP56 2.4 45.5 1.0 OD2 D:ASP58 2.5 56.4 1.0 OD1 D:ASP58 2.5 58.3 1.0 O D:THR62 2.5 39.9 1.0 OE1 D:GLU67 2.7 40.3 1.0 CG D:ASP58 2.7 57.5 1.0 OE2 D:GLU67 3.0 42.9 1.0 CG D:ASN60 3.1 46.9 1.0 CD D:GLU67 3.2 39.8 1.0 ND2 D:ASN60 3.6 49.3 1.0 CG D:ASP56 3.6 48.2 1.0 C D:THR62 3.6 37.5 1.0 N D:ASN60 4.1 46.5 1.0 CB D:ASP58 4.1 55.2 1.0 CB D:ASN60 4.2 45.8 1.0 N D:THR62 4.3 35.3 1.0 OD2 D:ASP56 4.4 49.7 1.0 N D:ASP58 4.4 53.9 1.0 CA D:ASP56 4.5 50.1 1.0 N D:ILE63 4.5 37.0 1.0 N D:GLY59 4.5 51.2 1.0 CA D:THR62 4.6 34.6 1.0 CA D:ILE63 4.6 34.9 1.0 CB D:ASP56 4.6 49.9 1.0 N D:ASP64 4.6 35.6 1.0 CG D:GLU67 4.6 39.9 1.0 CA D:ASN60 4.6 44.2 1.0 OG1 D:THR62 4.7 27.9 1.0 CA D:ASP58 4.7 53.2 1.0 OD2 D:ASP64 4.7 46.2 1.0 C D:ASP56 4.7 51.5 1.0 CG D:ASP64 4.8 43.7 1.0 C D:ASP58 4.9 51.9 1.0 N D:ALA57 4.9 52.2 1.0 N D:GLY61 4.9 38.6 1.0 C D:ASN60 4.9 41.4 1.0 C D:ILE63 5.0 35.6 1.0 OD1 D:ASP64 5.0 45.6 1.0

Calcium binding site 7 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca203 b:37.6 occ:1.00 OD1 D:ASP95 2.1 33.5 1.0 OD1 D:ASP93 2.2 34.1 1.0 O D:TYR99 2.2 29.7 1.0 OE1 D:GLU104 2.6 21.5 1.0 O D:HOH163 2.6 48.3 1.0 OD1 D:ASN97 2.8 32.4 1.0 OE2 D:GLU104 2.8 25.9 1.0 CD D:GLU104 3.0 22.2 1.0 CG D:ASP95 3.2 36.6 1.0 CG D:ASN97 3.3 33.3 1.0 CG D:ASP93 3.4 39.5 1.0 C D:TYR99 3.4 30.4 1.0 OD2 D:ASP95 3.6 39.4 1.0 ND2 D:ASN97 3.8 31.8 1.0 OD2 D:ASP93 4.2 36.1 1.0 N D:TYR99 4.2 32.4 1.0 N D:ASN97 4.2 39.3 1.0 CB D:ASN97 4.2 35.0 1.0 CA D:TYR99 4.3 31.9 1.0 O D:HOH149 4.3 35.7 1.0 N D:ILE100 4.4 29.6 1.0 N D:SER101 4.4 29.9 1.0 CB D:ASP95 4.4 36.4 1.0 CB D:ASP93 4.4 38.3 1.0 CA D:ASP93 4.5 38.8 1.0 N D:ASP95 4.5 40.9 1.0 CA D:ILE100 4.5 28.7 1.0 CG D:GLU104 4.5 24.2 1.0 CA D:ASN97 4.7 37.2 1.0 CB D:TYR99 4.7 32.0 1.0 C D:ASP93 4.7 40.2 1.0 CA D:ASP95 4.8 40.5 1.0 C D:ASP95 4.8 40.5 1.0 N D:GLY96 4.8 38.7 1.0 C D:ILE100 4.9 28.7 1.0 OG D:SER101 4.9 27.0 1.0 N D:GLY98 4.9 34.1 1.0 C D:ASN97 5.0 37.9 1.0

Calcium binding site 8 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca204 b:36.9 occ:1.00 O D:HOH157 2.2 49.0 1.0 OD2 D:ASP129 2.3 35.4 1.0 O D:GLN135 2.4 35.9 1.0 OE1 D:GLU140 2.4 43.6 1.0 OD2 D:ASP133 2.4 32.5 1.0 OE2 D:GLU140 2.4 51.3 1.0 OD1 D:ASP131 2.6 40.5 1.0 CD D:GLU140 2.8 46.1 1.0 CG D:ASP129 3.3 39.9 1.0 CG D:ASP133 3.4 34.6 1.0 CG D:ASP131 3.5 40.7 1.0 C D:GLN135 3.5 34.6 1.0 OD2 D:ASP131 3.7 42.5 1.0 OD1 D:ASP133 3.9 34.6 1.0 CA D:ASP129 4.0 45.0 1.0 CB D:ASP129 4.1 41.4 1.0 OD1 D:ASP129 4.1 34.7 1.0 CA D:VAL136 4.2 34.1 1.0 N D:GLN135 4.3 35.1 1.0 N D:ASN137 4.3 34.2 1.0 CG D:GLU140 4.3 42.2 1.0 N D:VAL136 4.3 32.9 1.0 N D:ASP133 4.3 32.8 1.0 N D:ASP131 4.4 40.2 1.0 C D:ASP129 4.4 44.5 1.0 N D:ILE130 4.5 44.3 1.0 CA D:GLN135 4.5 34.7 1.0 CB D:ASP133 4.7 32.3 1.0 C D:VAL136 4.7 34.3 1.0 N D:GLY132 4.7 36.4 1.0 CB D:ASP131 4.8 40.5 1.0 ND2 D:ASN137 4.8 42.3 1.0 CG D:ASN137 4.8 41.7 1.0 O D:HOH156 4.9 35.0 1.0 CA D:ASP133 4.9 30.8 1.0 N D:GLY134 4.9 31.6 1.0 CA D:ASP131 5.0 40.1 1.0

Calcium binding site 9 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca201 b:63.8 occ:1.00 O F:THR26 2.2 52.2 1.0 OE1 F:GLU31 2.4 58.8 1.0 OD1 F:ASP22 2.4 66.5 1.0 OD2 F:ASP24 2.5 68.6 1.0 OD1 F:ASP20 2.5 61.8 1.0 OE2 F:GLU31 2.8 55.8 1.0 CD F:GLU31 2.9 58.5 1.0 CG F:ASP22 3.1 67.2 1.0 OD2 F:ASP22 3.2 67.8 1.0 CG F:ASP24 3.4 67.0 1.0 C F:THR26 3.4 53.1 1.0 OD1 F:ASP24 3.6 66.7 1.0 CG F:ASP20 3.6 60.7 1.0 CA F:ASP20 4.1 58.5 1.0 N F:THR26 4.2 53.6 1.0 CB F:ASP20 4.2 59.5 1.0 CA F:THR26 4.3 53.1 1.0 N F:ILE27 4.3 53.0 1.0 CA F:ILE27 4.4 54.2 1.0 CG F:GLU31 4.4 59.0 1.0 CB F:ASP22 4.5 66.6 1.0 OD2 F:ASP20 4.6 63.0 1.0 N F:THR28 4.6 53.1 1.0 N F:ASP24 4.6 64.1 1.0 CG2 F:THR28 4.6 51.9 1.0 C F:ASP20 4.6 59.2 1.0 CB F:ASP24 4.7 64.5 1.0 N F:GLY23 4.7 66.6 1.0 N F:ASP22 4.7 65.3 1.0 OG1 F:THR26 4.8 52.5 1.0 OG1 F:THR28 4.9 53.0 1.0 C F:ILE27 4.9 53.3 1.0 CB F:THR26 4.9 53.7 1.0

Calcium binding site 10 out of 16 in the Human Inos Reductase and Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Human Inos Reductase and Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca202 b:73.5 occ:1.00 OE2 F:GLU67 2.2 55.6 1.0 O F:HOH158 2.3 41.0 1.0 OE1 F:GLU67 2.4 56.0 1.0 OD2 F:ASP58 2.4 67.3 1.0 CD F:GLU67 2.5 56.2 1.0 OD1 F:ASP56 2.5 66.5 1.0 OD1 F:ASN60 2.7 68.0 1.0 CG F:ASP58 2.9 65.6 1.0 OD1 F:ASP58 2.9 65.0 1.0 O F:THR62 3.1 58.9 1.0 OD2 F:ASP64 3.5 62.8 1.0 CG F:ASN60 3.7 65.1 1.0 CG F:ASP56 3.8 67.0 1.0 CG F:GLU67 3.9 55.5 1.0 CG F:ASP64 4.0 62.1 1.0 CB F:ASP58 4.2 64.3 1.0 N F:ASP58 4.3 64.3 1.0 C F:THR62 4.3 58.0 1.0 N F:ASP64 4.3 59.0 1.0 CA F:ASP56 4.4 67.6 1.0 OD1 F:ASP64 4.5 63.2 1.0 C F:ASP56 4.5 68.2 1.0 ND2 F:ASN60 4.6 64.1 1.0 CB F:ASP64 4.6 59.7 1.0 CB F:ASN60 4.6 62.5 1.0 OD2 F:ASP56 4.6 68.1 1.0 CB F:ASP56 4.7 67.3 1.0 N F:ASN60 4.7 60.6 1.0 N F:ALA57 4.7 67.7 1.0 CA F:ILE63 4.7 59.2 1.0 CA F:ASP58 4.8 63.9 1.0 N F:GLY59 4.9 62.2 1.0 O F:ASP56 4.9 68.4 1.0 C F:ILE63 5.0 59.1 1.0 CB F:GLU67 5.0 54.9 1.0 N F:ILE63 5.0 58.7 1.0

C.Xia, I.Misra, T.Iyanaki, J.J.K.Kim. Regulation of Interdomain Interactions By Cam in Inducible Nitric Oxide Synthase J.Biol.Chem. 2009.
ISSN: ESSN 1083-351X