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Calcium in PDB 3gof: Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase

Enzymatic activity of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase

All present enzymatic activity of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase:
1.14.13.39;

Protein crystallography data

The structure of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase, PDB code: 3gof was solved by H.L.Ng, A.Greenstein, M.Marletta, A.J.Wand, T.Alber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 9.34 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.923, 57.773, 60.231, 90.00, 93.06, 90.00
R / Rfree (%) 14.5 / 20.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase (pdb code 3gof). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase, PDB code: 3gof:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 3gof

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Calcium binding site 1 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca149

b:9.5
occ:1.00
OD1 A:ASP20 2.3 9.8 1.0
O A:THR26 2.3 13.8 1.0
OD1 A:ASP22 2.4 11.3 1.0
OD1 A:ASP24 2.4 11.7 1.0
O A:HOH189 2.4 12.8 1.0
OE2 A:GLU31 2.4 11.1 1.0
OE1 A:GLU31 2.5 8.9 1.0
CD A:GLU31 2.8 8.2 1.0
CG A:ASP22 3.3 11.7 1.0
CG A:ASP24 3.4 13.9 1.0
CG A:ASP20 3.4 7.8 1.0
C A:THR26 3.5 8.1 1.0
OD2 A:ASP22 3.7 14.6 1.0
O A:HOH158 3.9 20.5 1.0
OD2 A:ASP24 4.0 17.6 1.0
CA A:ASP20 4.1 8.4 1.0
N A:THR26 4.2 8.5 1.0
N A:ASP24 4.2 10.7 1.0
CB A:ASP20 4.2 9.6 1.0
OD2 A:ASP20 4.2 10.4 1.0
CG A:GLU31 4.3 8.2 1.0
OG1 A:THR26 4.4 16.9 1.0
N A:ASP22 4.4 14.6 1.0
CA A:THR26 4.4 8.6 1.0
C A:ASP20 4.4 10.4 1.0
CB A:ASP24 4.4 11.1 1.0
N A:ILE27 4.5 7.3 1.0
CB A:ASP22 4.6 10.5 1.0
CA A:ILE27 4.6 7.5 1.0
N A:GLY23 4.7 10.2 1.0
O A:HOH213 4.7 14.0 1.0
CA A:ASP24 4.7 11.7 1.0
N A:LYS21 4.8 10.6 1.0
N A:GLY25 4.8 12.5 1.0
CA A:ASP22 4.8 12.8 1.0
CG2 A:THR28 4.9 11.5 1.0
O A:ASP20 4.9 11.3 1.0
N A:THR28 4.9 8.1 1.0
C A:ASP22 4.9 10.9 1.0
O A:HOH291 5.0 22.7 1.0
C A:ASP24 5.0 11.2 1.0

Calcium binding site 2 out of 8 in 3gof

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Calcium binding site 2 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca150

b:7.1
occ:1.00
OD1 A:ASN60 2.4 7.2 1.0
OD1 A:ASP56 2.4 7.9 1.0
O A:HOH166 2.4 9.4 1.0
O A:HOH168 2.5 10.1 1.0
OE1 A:GLU67 2.5 8.5 1.0
OE2 A:GLU67 2.5 9.0 1.0
O A:THR62 2.5 7.8 1.0
OD1 A:ASP58 2.6 8.0 1.0
CD A:GLU67 2.9 8.0 1.0
CG A:ASN60 3.3 7.8 1.0
CG A:ASP56 3.5 7.0 1.0
CG A:ASP58 3.6 7.6 1.0
ND2 A:ASN60 3.6 9.1 1.0
C A:THR62 3.7 6.1 1.0
OD2 A:ASP58 4.1 9.1 1.0
OD2 A:ASP56 4.1 9.3 1.0
OG1 A:THR62 4.4 9.6 1.0
CG A:GLU67 4.4 8.1 1.0
N A:ASP58 4.4 9.2 1.0
N A:ALA57 4.4 8.2 1.0
CA A:ILE63 4.5 6.9 1.0
N A:ILE63 4.5 7.7 1.0
N A:THR62 4.5 8.4 1.0
CB A:ASP56 4.5 8.0 1.0
CA A:ASP56 4.6 9.2 1.0
N A:ASP64 4.6 7.2 1.0
O A:HOH231 4.6 16.8 1.0
OD2 A:ASP64 4.6 9.1 1.0
N A:ASN60 4.6 8.1 1.0
CA A:THR62 4.7 7.0 1.0
CB A:ASN60 4.7 8.1 1.0
CB A:ASP58 4.9 8.9 1.0
CG A:ASP64 4.9 8.4 1.0
C A:ILE63 5.0 8.5 1.0
CA A:ASP58 5.0 9.4 1.0

Calcium binding site 3 out of 8 in 3gof

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Calcium binding site 3 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca151

b:8.2
occ:1.00
OD1 A:ASP93 2.3 8.9 1.0
O A:TYR99 2.3 9.1 1.0
O A:HOH195 2.4 12.7 1.0
OD1 A:ASP95 2.4 9.4 1.0
OE1 A:GLU104 2.4 8.6 1.0
OD1 A:ASN97 2.4 7.1 1.0
OE2 A:GLU104 2.6 10.1 1.0
CD A:GLU104 2.8 8.6 1.0
CG A:ASP95 3.4 10.9 1.0
CG A:ASN97 3.4 8.5 1.0
CG A:ASP93 3.5 6.9 1.0
C A:TYR99 3.5 9.0 1.0
OD2 A:ASP95 3.7 14.0 1.0
CA A:ASP93 4.1 8.8 1.0
ND2 A:ASN97 4.1 11.3 1.0
N A:TYR99 4.2 7.9 1.0
N A:ASN97 4.2 7.8 1.0
CB A:ASP93 4.2 9.0 1.0
N A:ASP95 4.3 10.6 1.0
CG A:GLU104 4.3 9.8 1.0
OD2 A:ASP93 4.3 8.6 1.0
CA A:TYR99 4.3 7.7 1.0
C A:ASP93 4.3 9.1 1.0
CB A:ASN97 4.4 8.3 1.0
O A:HOH204 4.4 13.8 1.0
N A:ILE100 4.5 7.4 1.0
CB A:ASP95 4.6 9.9 1.0
N A:LYS94 4.6 10.6 1.0
CA A:ILE100 4.6 8.2 1.0
CB A:TYR99 4.6 7.8 1.0
N A:GLY96 4.7 8.9 1.0
CA A:ASN97 4.7 8.4 1.0
O A:HOH226 4.7 14.7 1.0
N A:SER101 4.7 9.1 1.0
CA A:ASP95 4.8 9.8 1.0
N A:GLY98 4.8 7.3 1.0
C A:ASP95 4.9 8.9 1.0
C A:ASN97 4.9 6.8 1.0
O A:ASP93 4.9 9.7 1.0
O A:HOH269 5.0 20.2 1.0

Calcium binding site 4 out of 8 in 3gof

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Calcium binding site 4 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca152

b:9.0
occ:1.00
OD1 A:ASP129 2.3 9.2 1.0
OD1 A:ASP131 2.3 10.4 1.0
O A:HOH159 2.4 9.4 1.0
OE1 A:GLU140 2.4 9.7 1.0
OD1 A:ASP133 2.4 9.9 1.0
O A:GLN135 2.4 9.0 1.0
OE2 A:GLU140 2.5 10.4 1.0
CD A:GLU140 2.8 8.8 1.0
CG A:ASP133 3.4 10.2 1.0
CG A:ASP129 3.4 9.1 1.0
CG A:ASP131 3.4 11.4 1.0
C A:GLN135 3.5 7.7 1.0
OD2 A:ASP133 3.8 14.3 1.0
OD2 A:ASP131 3.9 12.4 1.0
OD2 A:ASP129 4.1 9.8 1.0
N A:ASP131 4.2 10.9 1.0
N A:GLN135 4.2 9.8 1.0
N A:ASP133 4.3 10.5 1.0
CA A:ASP129 4.3 8.3 1.0
CB A:ASP129 4.3 9.6 1.0
N A:ILE130 4.3 7.7 1.0
N A:VAL136 4.4 8.1 1.0
CG A:GLU140 4.4 10.3 1.0
CA A:VAL136 4.4 7.3 1.0
N A:GLY132 4.4 11.2 1.0
N A:ASN137 4.4 7.3 1.0
CA A:GLN135 4.4 8.9 1.0
CB A:ASP133 4.5 12.0 1.0
CB A:ASP131 4.6 11.5 1.0
CA A:ASP131 4.7 11.7 1.0
C A:ASP131 4.8 11.6 1.0
CA A:ASP133 4.8 11.4 1.0
ND2 A:ASN137 4.8 9.6 1.0
C A:ASP129 4.8 9.9 1.0
N A:GLY134 4.9 9.3 1.0
C A:VAL136 4.9 6.7 1.0
CB A:GLN135 5.0 11.6 1.0

Calcium binding site 5 out of 8 in 3gof

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Calcium binding site 5 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca149

b:15.2
occ:1.00
OD1 B:ASP20 2.3 14.7 1.0
O B:THR26 2.3 16.8 1.0
OD1 B:ASP24 2.4 18.3 1.0
OD1 B:ASP22 2.4 16.9 1.0
O B:HOH178 2.4 16.6 1.0
OE2 B:GLU31 2.5 14.6 1.0
OE1 B:GLU31 2.5 14.7 1.0
CD B:GLU31 2.8 12.4 1.0
CG B:ASP24 3.4 18.8 1.0
CG B:ASP22 3.4 17.6 1.0
CG B:ASP20 3.4 16.4 1.0
C B:THR26 3.5 13.3 1.0
OD2 B:ASP22 3.6 21.6 1.0
O B:HOH245 3.8 27.6 1.0
OD2 B:ASP24 3.9 23.2 1.0
CA B:ASP20 4.0 14.9 1.0
CB B:ASP20 4.2 15.9 1.0
N B:THR26 4.2 16.2 1.0
N B:ASP24 4.2 18.1 1.0
OD2 B:ASP20 4.3 16.4 1.0
CG B:GLU31 4.3 14.7 1.0
CB B:ASP24 4.4 17.7 1.0
CA B:THR26 4.4 13.2 1.0
C B:ASP20 4.4 14.7 1.0
N B:ILE27 4.5 12.3 1.0
N B:ASP22 4.5 20.5 1.0
OG1 B:THR26 4.5 23.4 1.0
CA B:ILE27 4.6 13.0 1.0
CA B:ASP24 4.7 17.1 1.0
CB B:ASP22 4.7 19.4 1.0
N B:LYS21 4.7 15.5 1.0
N B:GLY23 4.8 18.2 1.0
O B:HOH172 4.8 19.3 1.0
N B:GLY25 4.8 15.1 1.0
C B:ASP24 4.9 17.5 1.0
CA B:ASP22 4.9 19.4 1.0
N B:THR28 5.0 12.8 1.0
O B:HOH242 5.0 22.3 1.0
CG2 B:THR28 5.0 15.2 1.0
O B:ASP20 5.0 17.9 1.0

Calcium binding site 6 out of 8 in 3gof

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Calcium binding site 6 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca150

b:13.1
occ:1.00
O B:HOH161 2.4 14.6 1.0
OD1 B:ASP56 2.4 14.5 1.0
OD1 B:ASN60 2.4 12.1 1.0
OE1 B:GLU67 2.5 12.7 1.0
O B:HOH189 2.5 16.8 1.0
OD1 B:ASP58 2.5 13.9 1.0
OE2 B:GLU67 2.5 15.3 1.0
O B:THR62 2.6 12.3 1.0
CD B:GLU67 2.9 13.4 1.0
CG B:ASN60 3.4 11.2 1.0
CG B:ASP56 3.5 13.3 1.0
CG B:ASP58 3.6 13.3 1.0
ND2 B:ASN60 3.7 13.6 1.0
C B:THR62 3.7 11.6 1.0
OD2 B:ASP58 4.0 15.5 1.0
OD2 B:ASP56 4.2 16.8 1.0
CG B:GLU67 4.4 12.8 1.0
CA B:ILE63 4.4 13.6 1.0
N B:ASP58 4.4 13.5 1.0
N B:THR62 4.5 12.2 1.0
O B:HOH179 4.5 19.5 1.0
OG1 B:THR62 4.5 14.6 1.0
CB B:ASP56 4.5 15.4 1.0
N B:ILE63 4.5 12.4 1.0
N B:ALA57 4.5 16.5 1.0
CA B:ASP56 4.5 18.2 1.0
N B:ASP64 4.6 12.8 1.0
N B:ASN60 4.6 14.4 1.0
OD2 B:ASP64 4.7 13.7 1.0
CA B:THR62 4.7 12.3 1.0
CB B:ASN60 4.7 14.5 1.0
C B:ASP56 4.8 20.9 1.0
CB B:ASP58 4.8 14.6 1.0
CG B:ASP64 4.9 12.0 1.0
N B:GLY59 4.9 12.8 1.0
C B:ILE63 4.9 12.9 1.0
CA B:ASP58 5.0 14.8 1.0

Calcium binding site 7 out of 8 in 3gof

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Calcium binding site 7 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca151

b:12.3
occ:1.00
O B:TYR99 2.3 13.9 1.0
OD1 B:ASP93 2.3 12.2 1.0
OD1 B:ASP95 2.3 11.1 1.0
O B:HOH167 2.4 16.8 1.0
OD1 B:ASN97 2.4 12.4 1.0
OE1 B:GLU104 2.4 13.2 1.0
OE2 B:GLU104 2.6 16.0 1.0
CD B:GLU104 2.8 12.7 1.0
CG B:ASP95 3.3 11.6 1.0
CG B:ASN97 3.4 12.6 1.0
CG B:ASP93 3.5 12.5 1.0
C B:TYR99 3.5 12.0 1.0
OD2 B:ASP95 3.7 18.5 1.0
CA B:ASP93 4.0 12.4 1.0
ND2 B:ASN97 4.1 14.7 1.0
N B:ASN97 4.2 10.2 1.0
N B:TYR99 4.2 8.6 1.0
CB B:ASP93 4.2 13.3 1.0
N B:ASP95 4.3 14.2 1.0
CG B:GLU104 4.3 13.0 1.0
OD2 B:ASP93 4.3 13.7 1.0
C B:ASP93 4.3 13.4 1.0
CB B:ASN97 4.4 10.3 1.0
CA B:TYR99 4.4 11.7 1.0
N B:ILE100 4.5 13.4 1.0
N B:LYS94 4.5 13.1 1.0
CB B:ASP95 4.5 13.8 1.0
O B:HOH169 4.5 16.8 1.0
CA B:ILE100 4.6 13.2 1.0
CA B:ASN97 4.6 11.0 1.0
N B:GLY96 4.6 9.7 1.0
CB B:TYR99 4.7 12.3 1.0
N B:SER101 4.7 12.4 1.0
CA B:ASP95 4.7 10.7 1.0
O B:HOH187 4.8 20.9 1.0
N B:GLY98 4.8 10.7 1.0
C B:ASP95 4.8 8.8 1.0
O B:ASP93 4.9 12.4 1.0
C B:ASN97 4.9 11.2 1.0

Calcium binding site 8 out of 8 in 3gof

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Calcium binding site 8 out of 8 in the Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Calmodulin Bound to Peptide From Macrophage Nitric Oxide Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca152

b:15.2
occ:1.00
OD1 B:ASP129 2.3 13.9 1.0
OD1 B:ASP131 2.3 16.8 1.0
OD1 B:ASP133 2.4 16.7 1.0
O B:GLN135 2.4 14.7 1.0
O B:HOH165 2.4 17.0 1.0
OE1 B:GLU140 2.4 15.1 1.0
OE2 B:GLU140 2.6 14.2 1.0
CD B:GLU140 2.9 15.1 1.0
CG B:ASP133 3.3 18.4 1.0
CG B:ASP129 3.4 14.3 1.0
CG B:ASP131 3.4 17.7 1.0
C B:GLN135 3.5 12.5 1.0
OD2 B:ASP133 3.7 22.7 1.0
OD2 B:ASP131 3.9 20.7 1.0
OD2 B:ASP129 4.1 16.0 1.0
N B:ASP131 4.2 17.1 1.0
N B:ASP133 4.2 18.5 1.0
N B:GLN135 4.2 15.5 1.0
CA B:ASP129 4.3 14.6 1.0
N B:ILE130 4.3 17.1 1.0
CB B:ASP129 4.3 13.6 1.0
N B:VAL136 4.4 12.6 1.0
N B:GLY132 4.4 17.8 1.0
N B:ASN137 4.4 13.3 1.0
CG B:GLU140 4.4 15.8 1.0
CA B:VAL136 4.4 13.1 1.0
CA B:GLN135 4.4 13.0 1.0
CB B:ASP133 4.5 17.2 1.0
CB B:ASP131 4.6 17.7 1.0
O B:HOH171 4.6 18.6 1.0
CA B:ASP131 4.7 16.0 1.0
C B:ASP129 4.8 15.2 1.0
CA B:ASP133 4.8 16.2 1.0
C B:ASP131 4.8 15.6 1.0
ND2 B:ASN137 4.8 15.7 1.0
N B:GLY134 4.9 14.7 1.0
C B:VAL136 4.9 12.1 1.0
CB B:GLN135 4.9 16.5 1.0
CG B:ASN137 5.0 13.8 1.0

Reference:

H.L.Ng, A.Greenstein, M.Marletta, A.J.Wand, T.Alber. Structural Diversity in Calmodulin Recognition of Nitric Oxide Synthases To Be Published.
Page generated: Sat Jul 13 10:45:28 2024

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