Calcium in PDB 3ewv: Crystal Structure of Calmodulin Complexed with A Peptide

The structure of Crystal Structure of Calmodulin Complexed with A Peptide, PDB code: 3ewv was solved by T.Jiang, P.Cao, Y.Gong, H.J.Yu, W.J.Gui, W.T.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.92 / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.936, 39.936, 181.993, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 28.2

The binding sites of Calcium atom in the Crystal Structure of Calmodulin Complexed with A Peptide (pdb code 3ewv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Calmodulin Complexed with A Peptide, PDB code: 3ewv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Calmodulin Complexed with A Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Calmodulin Complexed with A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:22.5 occ:1.00 OD1 A:ASP20 2.0 24.8 1.0 OD1 A:ASP24 2.2 22.8 1.0 OD1 A:ASP22 2.3 21.7 1.0 O A:THR26 2.4 22.0 1.0 O A:HOH153 2.5 17.4 1.0 OE2 A:GLU31 2.6 18.2 1.0 OE1 A:GLU31 2.6 19.0 1.0 CD A:GLU31 3.0 19.1 1.0 CG A:ASP20 3.2 23.6 1.0 CG A:ASP24 3.3 23.0 1.0 CG A:ASP22 3.3 22.3 1.0 C A:THR26 3.6 21.1 1.0 OD2 A:ASP22 3.7 19.7 1.0 OD2 A:ASP24 3.8 24.1 1.0 CA A:ASP20 3.9 21.5 1.0 CB A:ASP20 4.0 21.9 1.0 N A:ASP24 4.0 22.8 1.0 OD2 A:ASP20 4.1 25.1 1.0 C A:ASP20 4.1 21.4 1.0 N A:ASP22 4.2 22.4 1.0 OG1 A:THR26 4.3 20.4 1.0 CB A:ASP24 4.3 21.7 1.0 O A:HOH179 4.3 30.4 1.0 N A:THR26 4.3 21.1 1.0 CB A:ASP22 4.4 22.1 1.0 N A:LYS21 4.4 21.8 1.0 CG A:GLU31 4.4 17.2 1.0 N A:GLY23 4.5 22.7 1.0 N A:ILE27 4.5 20.5 1.0 CA A:ILE27 4.5 19.3 1.0 CA A:THR26 4.5 20.9 1.0 O A:ASP20 4.6 21.2 1.0 CA A:ASP22 4.6 22.5 1.0 CA A:ASP24 4.6 22.0 1.0 C A:ASP22 4.6 22.5 1.0 N A:GLY25 4.9 21.4 1.0 CG2 A:THR28 4.9 16.1 1.0 N A:THR28 4.9 18.4 1.0 C A:ASP24 5.0 21.7 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Calmodulin Complexed with A Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Calmodulin Complexed with A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:25.6 occ:1.00 OD1 A:ASP56 2.3 26.6 1.0 OE1 A:GLU67 2.4 18.9 1.0 OD1 A:ASP58 2.4 27.9 1.0 OE2 A:GLU67 2.4 24.0 1.0 O A:HOH154 2.5 27.2 1.0 OD1 A:ASN60 2.6 24.8 1.0 O A:THR62 2.6 25.2 1.0 CD A:GLU67 2.8 19.9 1.0 CG A:ASP58 3.3 27.9 1.0 CG A:ASP56 3.5 27.2 1.0 CG A:ASN60 3.5 26.5 1.0 OD2 A:ASP58 3.6 30.2 1.0 C A:THR62 3.7 24.6 1.0 ND2 A:ASN60 3.9 25.6 1.0 O A:HOH219 4.0 22.9 1.0 CB A:ASP56 4.2 26.9 1.0 CG A:GLU67 4.3 18.6 1.0 CA A:ASP56 4.3 27.5 1.0 N A:ASP64 4.4 19.5 1.0 OD2 A:ASP56 4.4 26.3 1.0 N A:THR62 4.4 25.9 1.0 OD2 A:ASP64 4.4 20.7 1.0 CA A:ILE63 4.5 22.3 1.0 N A:ILE63 4.5 23.5 1.0 CG A:ASP64 4.5 18.8 1.0 N A:ASN60 4.6 26.4 1.0 CB A:ASP58 4.6 26.0 1.0 CA A:THR62 4.6 25.1 1.0 N A:ASP58 4.6 25.6 1.0 OD1 A:ASP64 4.7 15.9 1.0 OG1 A:THR62 4.7 24.5 1.0 CB A:ASN60 4.7 25.8 1.0 C A:ASP56 4.7 27.4 1.0 C A:ILE63 4.8 20.8 1.0 N A:ALA57 4.9 26.8 1.0 N A:GLY59 4.9 26.6 1.0 CA A:ASP58 4.9 25.9 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Calmodulin Complexed with A Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Calmodulin Complexed with A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:13.6 occ:1.00 O A:TYR99 2.1 12.8 1.0 OE1 A:GLU104 2.2 15.6 1.0 O A:HOH155 2.3 10.8 1.0 OD1 A:ASN97 2.3 13.7 1.0 OD1 A:ASP93 2.3 14.9 1.0 OD1 A:ASP95 2.4 16.3 1.0 OE2 A:GLU104 2.5 16.3 1.0 CD A:GLU104 2.7 17.5 1.0 C A:TYR99 3.3 13.1 1.0 CG A:ASN97 3.4 14.6 1.0 CG A:ASP95 3.4 18.9 1.0 CG A:ASP93 3.6 16.1 1.0 OD2 A:ASP95 3.8 19.7 1.0 ND2 A:ASN97 4.0 13.9 1.0 CG A:GLU104 4.2 17.1 1.0 N A:ILE100 4.2 13.0 1.0 N A:TYR99 4.2 12.8 1.0 N A:ASN97 4.3 15.2 1.0 OD2 A:ASP93 4.3 15.7 1.0 CA A:TYR99 4.3 12.3 1.0 CA A:ILE100 4.3 13.9 1.0 CA A:ASP93 4.3 18.6 1.0 N A:ASP95 4.4 19.4 1.0 CB A:ASN97 4.5 14.4 1.0 CB A:ASP93 4.5 18.0 1.0 N A:SER101 4.5 15.6 1.0 C A:ASP93 4.6 19.4 1.0 CB A:ASP95 4.7 18.3 1.0 N A:LYS94 4.7 20.0 1.0 CB A:TYR99 4.7 11.4 1.0 CA A:ASN97 4.8 14.8 1.0 N A:GLY96 4.8 17.2 1.0 N A:GLY98 4.9 14.7 1.0 C A:ILE100 4.9 14.6 1.0 O A:HOH178 4.9 30.7 1.0 CA A:ASP95 4.9 18.6 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Calmodulin Complexed with A Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Calmodulin Complexed with A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:15.8 occ:1.00 OD1 A:ASP129 2.3 11.4 1.0 O A:GLN135 2.3 10.8 1.0 OD1 A:ASP133 2.3 14.5 1.0 OE2 A:GLU140 2.4 13.3 1.0 O A:HOH156 2.4 11.2 1.0 OE1 A:GLU140 2.4 17.6 1.0 OD1 A:ASP131 2.4 12.6 1.0 CD A:GLU140 2.7 18.2 1.0 CG A:ASP133 3.3 13.2 1.0 CG A:ASP129 3.4 16.8 1.0 C A:GLN135 3.4 11.0 1.0 CG A:ASP131 3.4 13.6 1.0 OD2 A:ASP133 3.8 13.8 1.0 OD2 A:ASP131 3.9 14.8 1.0 N A:ASP133 4.0 12.4 1.0 CA A:ASP129 4.1 18.9 1.0 N A:GLN135 4.1 10.8 1.0 N A:ILE130 4.2 18.5 1.0 OD2 A:ASP129 4.2 13.3 1.0 CB A:ASP129 4.2 18.6 1.0 N A:ASP131 4.2 16.2 1.0 CG A:GLU140 4.3 19.1 1.0 N A:GLY132 4.3 13.4 1.0 N A:VAL136 4.3 11.7 1.0 CA A:GLN135 4.4 10.7 1.0 CB A:ASP133 4.4 12.6 1.0 CA A:VAL136 4.4 12.6 1.0 N A:ASN137 4.5 13.8 1.0 C A:ASP129 4.6 19.1 1.0 CA A:ASP133 4.6 11.9 1.0 CB A:ASP131 4.7 13.9 1.0 N A:GLY134 4.7 11.1 1.0 CA A:ASP131 4.7 14.5 1.0 C A:ASP131 4.9 14.3 1.0 CB A:GLN135 4.9 10.9 1.0 C A:ASP133 4.9 11.6 1.0 C A:GLY132 5.0 12.8 1.0 C A:VAL136 5.0 13.2 1.0

P.Cao, W.Zhang, W.Gui, Y.Dong, T.Jiang, Y.Gong. Structural Insights Into the Mechanism of Calmodulin Binding to Death Receptors. Acta Crystallogr.,Sect.D V. 70 1604 2014.
ISSN: ESSN 1399-0047
PubMed: 24914971
DOI: 10.1107/S1399004714006919