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

The structure of Crystal Structure of Calmodulin Complexed with A Peptide, PDB code: 3ewt 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)	19.90 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	40.062, 40.062, 174.431, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 25.9

The binding sites of Calcium atom in the Crystal Structure of Calmodulin Complexed with A Peptide (pdb code 3ewt). 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: 3ewt:
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:Ca601 b:32.8 occ:1.00 OD1 A:ASP20 2.2 31.7 1.0 OD1 A:ASP22 2.3 33.2 1.0 O A:THR26 2.4 29.6 1.0 OD1 A:ASP24 2.4 34.1 1.0 O A:HOH607 2.4 37.8 1.0 OE2 A:GLU31 2.6 24.8 1.0 OE1 A:GLU31 2.6 24.3 1.0 CD A:GLU31 2.9 24.8 1.0 CG A:ASP24 3.3 35.2 1.0 CG A:ASP22 3.3 34.2 1.0 CG A:ASP20 3.4 31.8 1.0 C A:THR26 3.6 29.8 1.0 OD2 A:ASP22 3.7 33.8 1.0 OD2 A:ASP24 3.8 35.0 1.0 OG1 A:THR26 4.0 32.5 1.0 CA A:ASP20 4.2 32.8 1.0 N A:ASP24 4.2 34.8 1.0 N A:THR26 4.2 31.6 1.0 OD2 A:ASP20 4.2 33.0 1.0 CB A:ASP20 4.2 32.6 1.0 N A:ASP22 4.3 35.3 1.0 CB A:ASP24 4.3 33.9 1.0 CA A:THR26 4.4 30.8 1.0 C A:ASP20 4.4 33.0 1.0 CG A:GLU31 4.4 22.6 1.0 N A:ILE27 4.5 28.9 1.0 N A:GLY23 4.6 35.7 1.0 CB A:ASP22 4.6 34.8 1.0 N A:LYS21 4.6 34.0 1.0 CA A:ILE27 4.6 27.6 1.0 CA A:ASP24 4.7 34.3 1.0 N A:GLY25 4.7 33.2 1.0 O A:HOH612 4.7 26.1 1.0 CA A:ASP22 4.8 35.2 1.0 N A:THR28 4.8 25.6 1.0 CB A:THR26 4.8 31.0 1.0 C A:ASP22 4.9 35.3 1.0 O A:ASP20 4.9 33.0 1.0 CG2 A:THR28 4.9 23.9 1.0 O A:HOH642 4.9 39.3 1.0 C A:ASP24 5.0 33.9 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:Ca602 b:34.4 occ:1.00 OD1 A:ASP56 2.3 34.4 1.0 O A:HOH645 2.3 32.8 1.0 OE2 A:GLU67 2.3 34.8 1.0 O A:THR62 2.4 33.3 1.0 OE1 A:GLU67 2.4 34.3 1.0 OD1 A:ASP58 2.4 36.4 1.0 OD1 A:ASN60 2.6 36.5 1.0 CD A:GLU67 2.7 34.2 1.0 CG A:ASP58 3.4 38.0 1.0 CG A:ASN60 3.5 36.7 1.0 CG A:ASP56 3.5 36.0 1.0 C A:THR62 3.6 33.0 1.0 OD2 A:ASP58 3.9 38.8 1.0 ND2 A:ASN60 4.1 34.5 1.0 CG A:GLU67 4.2 31.9 1.0 OD2 A:ASP56 4.3 34.7 1.0 N A:ASN60 4.4 37.3 1.0 N A:THR62 4.4 34.1 1.0 CA A:ASP56 4.4 37.5 1.0 CB A:ASP56 4.4 37.0 1.0 CA A:ILE63 4.4 32.1 1.0 N A:ILE63 4.4 32.6 1.0 N A:ASP64 4.5 30.5 1.0 N A:ASP58 4.5 38.2 1.0 CA A:THR62 4.5 33.2 1.0 CB A:ASN60 4.6 36.5 1.0 CB A:ASP58 4.6 37.8 1.0 C A:ASP56 4.6 37.8 1.0 OD2 A:ASP64 4.8 30.5 1.0 OG1 A:THR62 4.8 33.7 1.0 N A:GLY59 4.8 38.1 1.0 CA A:ASN60 4.8 36.7 1.0 CG A:ASP64 4.8 29.0 1.0 N A:ALA57 4.8 38.0 1.0 CA A:ASP58 4.8 38.1 1.0 N A:GLY61 4.9 35.9 1.0 C A:ILE63 4.9 31.7 1.0 C A:ASP58 4.9 38.1 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:Ca603 b:24.7 occ:1.00 OD1 A:ASP93 2.3 23.9 1.0 O A:TYR99 2.3 18.3 1.0 OD1 A:ASN97 2.3 21.7 1.0 OE2 A:GLU104 2.4 26.1 1.0 OE1 A:GLU104 2.4 25.0 1.0 OD1 A:ASP95 2.4 25.7 1.0 O A:HOH617 2.4 25.6 1.0 CD A:GLU104 2.7 26.6 1.0 CG A:ASP95 3.3 25.7 1.0 CG A:ASN97 3.4 21.3 1.0 C A:TYR99 3.5 17.8 1.0 CG A:ASP93 3.5 24.3 1.0 OD2 A:ASP95 3.7 27.3 1.0 ND2 A:ASN97 4.1 20.4 1.0 N A:TYR99 4.1 17.6 1.0 O A:HOH620 4.2 22.1 1.0 CA A:ASP93 4.2 25.7 1.0 CG A:GLU104 4.2 25.5 1.0 N A:ASN97 4.2 20.7 1.0 N A:ASP95 4.3 26.4 1.0 CA A:TYR99 4.3 17.4 1.0 OD2 A:ASP93 4.3 23.1 1.0 CB A:ASP93 4.4 25.3 1.0 CB A:ASN97 4.4 19.6 1.0 C A:ASP93 4.4 26.2 1.0 N A:ILE100 4.4 17.5 1.0 CB A:ASP95 4.5 25.3 1.0 CA A:ILE100 4.6 17.4 1.0 N A:LYS94 4.6 27.0 1.0 CA A:ASN97 4.7 19.9 1.0 O A:HOH634 4.7 30.5 1.0 N A:GLY96 4.7 24.0 1.0 CA A:ASP95 4.7 25.4 1.0 N A:SER101 4.7 19.1 1.0 CB A:TYR99 4.7 17.2 1.0 N A:GLY98 4.8 18.1 1.0 C A:ASP95 4.9 24.6 1.0 O A:ASP93 5.0 25.6 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:Ca604 b:22.3 occ:1.00 OD1 A:ASP129 2.2 22.0 1.0 OD2 A:ASP133 2.3 23.4 1.0 O A:GLN135 2.4 18.5 1.0 OD1 A:ASP131 2.4 21.9 1.0 OE2 A:GLU140 2.5 23.4 1.0 O A:HOH605 2.5 17.3 1.0 OE1 A:GLU140 2.6 19.3 1.0 CD A:GLU140 2.9 22.4 1.0 CG A:ASP129 3.3 25.1 1.0 CG A:ASP131 3.3 22.4 1.0 CG A:ASP133 3.3 20.3 1.0 C A:GLN135 3.5 19.4 1.0 OD2 A:ASP131 3.6 21.8 1.0 OD1 A:ASP133 3.8 19.9 1.0 OD2 A:ASP129 4.0 25.9 1.0 N A:GLN135 4.1 19.8 1.0 N A:ASP133 4.2 20.3 1.0 N A:ASP131 4.2 23.7 1.0 CA A:ASP129 4.2 26.5 1.0 CB A:ASP129 4.2 25.8 1.0 N A:ILE130 4.3 25.6 1.0 N A:GLY132 4.4 20.9 1.0 CA A:GLN135 4.4 19.2 1.0 N A:VAL136 4.4 19.5 1.0 CG A:GLU140 4.4 23.5 1.0 CB A:ASP133 4.4 20.3 1.0 CA A:VAL136 4.5 19.1 1.0 N A:GLY134 4.6 21.0 1.0 CB A:ASP131 4.6 22.4 1.0 N A:ASN137 4.6 20.5 1.0 CA A:ASP133 4.6 20.2 1.0 C A:ASP129 4.7 25.9 1.0 CA A:ASP131 4.7 22.7 1.0 C A:ASP133 4.9 20.8 1.0 C A:ASP131 4.9 22.1 1.0 CB A:GLN135 4.9 19.4 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