Calcium in PDB 2o60: Calmodulin Bound to Peptide From Neuronal Nitric Oxide Synthase

The structure of Calmodulin Bound to Peptide From Neuronal Nitric Oxide Synthase, PDB code: 2o60 was solved by H.L.Ng, T.Alber, A.J.Wand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.54 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.126, 32.930, 73.830, 90.00, 93.30, 90.00
R / Rfree (%)	20.2 / 24.4

The binding sites of Calcium atom in the Calmodulin Bound to Peptide From Neuronal Nitric Oxide Synthase (pdb code 2o60). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Calmodulin Bound to Peptide From Neuronal Nitric Oxide Synthase, PDB code: 2o60:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin Bound to Peptide From Neuronal 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 Neuronal Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:35.4 occ:1.00 OD1 A:ASP129 2.2 33.5 1.0 O A:GLN135 2.4 34.5 1.0 OD1 A:ASP133 2.4 34.9 1.0 OE1 A:GLU140 2.4 35.7 1.0 O A:HOH432 2.5 34.4 1.0 OD1 A:ASP131 2.5 39.1 1.0 OE2 A:GLU140 2.5 38.8 1.0 CD A:GLU140 2.8 36.0 1.0 CG A:ASP133 3.3 36.0 1.0 CG A:ASP129 3.4 34.6 1.0 C A:GLN135 3.5 34.6 1.0 CG A:ASP131 3.6 42.1 1.0 OD2 A:ASP133 3.7 34.3 1.0 OD2 A:ASP131 4.2 46.3 1.0 CA A:ASP129 4.2 37.0 1.0 CB A:ASP129 4.2 36.3 1.0 OD2 A:ASP129 4.2 36.2 1.0 N A:GLN135 4.2 33.1 1.0 N A:ASP133 4.2 36.7 1.0 N A:ASP131 4.3 40.1 1.0 CG A:GLU140 4.4 35.9 1.0 CA A:GLN135 4.4 34.2 1.0 N A:VAL136 4.4 34.6 1.0 CB A:ASP133 4.4 35.7 1.0 CA A:VAL136 4.4 35.6 1.0 N A:ASN137 4.4 34.6 1.0 N A:GLY132 4.5 38.5 1.0 C A:ASP129 4.5 38.4 1.0 N A:ILE130 4.6 39.1 1.0 CB A:GLN135 4.7 34.5 1.0 CB A:ASP131 4.7 40.5 1.0 CA A:ASP133 4.8 35.3 1.0 CA A:ASP131 4.8 40.0 1.0 C A:ASP131 4.8 39.3 1.0 C A:VAL136 4.9 35.7 1.0 N A:GLY134 4.9 33.3 1.0

Calcium binding site 2 out of 4 in the Calmodulin Bound to Peptide From Neuronal 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 Neuronal Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:32.6 occ:1.00 OD1 A:ASP56 2.2 33.9 1.0 OD1 A:ASN60 2.3 33.6 1.0 O A:THR62 2.4 33.4 1.0 OE1 A:GLU67 2.4 33.5 1.0 OD1 A:ASP58 2.4 34.6 1.0 O A:HOH410 2.4 19.8 1.0 OE2 A:GLU67 2.6 32.4 1.0 CD A:GLU67 2.8 33.2 1.0 CG A:ASN60 3.4 35.0 1.0 CG A:ASP56 3.4 33.4 1.0 CG A:ASP58 3.4 38.3 1.0 C A:THR62 3.6 33.0 1.0 OD2 A:ASP58 3.8 39.4 1.0 ND2 A:ASN60 4.0 39.8 1.0 CA A:ASP56 4.2 34.0 1.0 N A:ASN60 4.2 34.1 1.0 N A:THR62 4.2 33.9 1.0 O A:HOH411 4.2 29.0 1.0 CB A:ASP56 4.3 33.3 1.0 OD2 A:ASP56 4.3 33.6 1.0 CG A:GLU67 4.4 31.9 1.0 CB A:ASN60 4.4 34.5 1.0 N A:ASP58 4.5 38.1 1.0 N A:ILE63 4.5 32.5 1.0 CA A:ILE63 4.5 32.9 1.0 C A:ASP56 4.5 34.2 1.0 N A:ASP64 4.5 32.7 1.0 CA A:THR62 4.5 33.6 1.0 OG1 A:THR62 4.6 36.5 1.0 N A:GLY61 4.6 33.7 1.0 CB A:ASP58 4.6 37.3 1.0 CA A:ASN60 4.6 33.9 1.0 N A:GLY59 4.7 37.4 1.0 N A:ALA57 4.8 34.1 1.0 OD2 A:ASP64 4.8 38.3 1.0 C A:ASN60 4.8 34.6 1.0 CA A:ASP58 4.9 37.6 1.0 CG A:ASP64 4.9 32.4 1.0 C A:ASP58 4.9 38.0 1.0 C A:ILE63 4.9 33.5 1.0

Calcium binding site 3 out of 4 in the Calmodulin Bound to Peptide From Neuronal 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 Neuronal Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:32.7 occ:1.00 OD1 A:ASP20 2.3 35.6 1.0 O A:THR26 2.3 36.5 1.0 O A:HOH419 2.4 27.1 1.0 OD1 A:ASP22 2.4 32.8 1.0 OD1 A:ASP24 2.4 34.4 1.0 OE1 A:GLU31 2.4 34.4 1.0 OE2 A:GLU31 2.5 35.0 1.0 CD A:GLU31 2.8 33.6 1.0 CG A:ASP22 3.3 34.0 1.0 CG A:ASP24 3.4 37.3 1.0 CG A:ASP20 3.5 35.2 1.0 C A:THR26 3.5 36.1 1.0 OD2 A:ASP22 3.8 39.7 1.0 OD2 A:ASP24 4.0 39.1 1.0 N A:ASP24 4.1 33.1 1.0 N A:THR26 4.2 35.1 1.0 CA A:ASP20 4.3 33.8 1.0 CG A:GLU31 4.3 32.4 1.0 OD2 A:ASP20 4.3 34.1 1.0 N A:ASP22 4.3 35.3 1.0 OG1 A:THR26 4.3 44.1 1.0 N A:ILE27 4.4 33.7 1.0 CB A:ASP20 4.4 34.3 1.0 CA A:THR26 4.4 36.6 1.0 CB A:ASP24 4.4 34.3 1.0 C A:ASP20 4.4 35.0 1.0 CA A:ILE27 4.5 33.2 1.0 CB A:ASP22 4.6 34.4 1.0 N A:GLY23 4.6 34.9 1.0 CA A:ASP24 4.7 34.2 1.0 N A:LYS21 4.7 34.8 1.0 O A:HOH417 4.7 25.9 1.0 N A:GLY25 4.7 34.9 1.0 CA A:ASP22 4.7 34.6 1.0 O A:HOH470 4.8 38.1 1.0 C A:ASP22 4.9 35.0 1.0 N A:THR28 4.9 33.7 1.0 O A:ASP20 4.9 34.0 1.0 CG2 A:THR28 4.9 33.8 1.0 C A:ASP24 5.0 35.2 1.0

Calcium binding site 4 out of 4 in the Calmodulin Bound to Peptide From Neuronal 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 Neuronal Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:34.8 occ:1.00 OD1 A:ASP93 2.3 32.6 1.0 O A:TYR99 2.3 37.8 1.0 OD1 A:ASP95 2.4 36.5 1.0 O A:HOH476 2.4 32.0 1.0 OE1 A:GLU104 2.5 35.9 1.0 OD1 A:ASN97 2.6 37.4 1.0 OE2 A:GLU104 2.6 35.8 1.0 CD A:GLU104 2.9 36.8 1.0 CG A:ASP95 3.4 37.2 1.0 C A:TYR99 3.4 36.7 1.0 CG A:ASP93 3.5 35.7 1.0 CG A:ASN97 3.5 38.1 1.0 OD2 A:ASP95 3.8 41.5 1.0 CA A:ASP93 4.1 35.5 1.0 N A:ASN97 4.2 36.4 1.0 N A:TYR99 4.2 37.1 1.0 ND2 A:ASN97 4.2 36.9 1.0 CB A:ASP93 4.3 34.4 1.0 CA A:TYR99 4.3 37.3 1.0 C A:ASP93 4.3 35.2 1.0 N A:ILE100 4.4 35.0 1.0 N A:ASP95 4.4 36.1 1.0 CG A:GLU104 4.4 36.0 1.0 OD2 A:ASP93 4.4 36.3 1.0 O A:HOH430 4.4 29.3 1.0 CB A:ASN97 4.5 35.9 1.0 CA A:ILE100 4.5 35.1 1.0 N A:SER101 4.5 34.3 1.0 N A:LYS94 4.6 36.2 1.0 CB A:ASP95 4.6 35.8 1.0 N A:GLY96 4.6 35.8 1.0 O A:HOH497 4.6 44.3 1.0 CA A:ASN97 4.7 36.4 1.0 CB A:TYR99 4.7 37.7 1.0 CA A:ASP95 4.8 35.3 1.0 O A:ASP93 4.8 35.1 1.0 C A:ASP95 4.8 34.8 1.0 N A:GLY98 4.9 36.2 1.0 O A:HOH510 4.9 47.0 1.0 C A:ILE100 4.9 34.5 1.0

K.G.Valentine, H.L.Ng, L.Schneeweis, J.K.Kranz, K.K.Frederick, T.Alber, A.J.Wand. Crystal Structure of Calmodulin-Neuronal Nitric Oxide Synthase Complex To Be Published.