Calcium in PDB 8ahs: Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin

The structure of Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin, PDB code: 8ahs was solved by Z.Durvanger, V.Harmat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.31 / 2.48
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	40.77, 40.77, 350.8, 90, 90, 120
R / Rfree (%)	26.7 / 27

The binding sites of Calcium atom in the Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin (pdb code 8ahs). 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 Human CA2+/Calmodulin in Complex with Melittin, PDB code: 8ahs:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin


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 Human CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:99.2 occ:1.00 OD1 A:ASP24 2.3 114.6 1.0 OE2 A:GLU31 2.3 116.4 1.0 OE1 A:GLU31 2.3 103.7 1.0 O A:THR26 2.3 88.0 1.0 OD1 A:ASP22 2.4 110.7 1.0 OD1 A:ASP20 2.5 122.1 1.0 CD A:GLU31 2.6 100.1 1.0 CG A:ASP22 3.2 110.7 1.0 CG A:ASP24 3.3 112.1 1.0 OD2 A:ASP22 3.4 113.5 1.0 C A:THR26 3.5 92.6 1.0 CG A:ASP20 3.6 121.6 1.0 OD2 A:ASP24 3.8 100.6 1.0 OG1 A:THR26 4.1 99.6 1.0 CG A:GLU31 4.1 86.1 1.0 CA A:ASP20 4.3 115.6 1.0 OD2 A:ASP20 4.4 122.3 1.0 CA A:ILE27 4.4 86.2 1.0 CB A:ASP20 4.4 121.1 1.0 N A:ILE27 4.4 88.2 1.0 N A:THR26 4.4 94.8 1.0 N A:ASP24 4.4 116.3 1.0 CB A:ASP24 4.5 123.6 1.0 CA A:THR26 4.5 104.9 1.0 CB A:ASP22 4.6 123.6 1.0 N A:ASP22 4.7 107.1 1.0 N A:THR28 4.7 84.0 1.0 C A:ASP20 4.7 123.8 1.0 N A:GLY23 4.7 124.8 1.0 CG2 A:THR28 4.8 85.3 1.0 CA A:ASP24 4.9 118.9 1.0 CB A:THR26 4.9 99.9 1.0 C A:ILE27 5.0 80.8 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin


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 Human CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:114.0 occ:1.00 OD1 A:ASP58 2.2 129.8 1.0 OE1 A:GLU67 2.3 107.3 1.0 OD1 A:ASP56 2.3 127.0 1.0 OE2 A:GLU67 2.4 122.0 1.0 OD1 A:ASN60 2.5 128.4 1.0 O A:THR62 2.6 112.5 1.0 CD A:GLU67 2.7 115.4 1.0 O A:HOH303 2.7 103.7 1.0 CG A:ASP58 3.3 131.0 1.0 CG A:ASN60 3.4 124.3 1.0 CG A:ASP56 3.4 118.7 1.0 OD2 A:ASP58 3.7 132.8 1.0 C A:THR62 3.8 80.1 1.0 CA A:ASP56 4.0 129.0 1.0 ND2 A:ASN60 4.0 116.1 1.0 N A:ASP58 4.2 137.1 1.0 CG A:GLU67 4.2 101.9 1.0 OD2 A:ASP56 4.2 120.9 1.0 CB A:ASP56 4.2 124.2 1.0 N A:ASN60 4.2 131.8 1.0 C A:ASP56 4.3 132.0 1.0 N A:ALA57 4.3 128.0 1.0 N A:THR62 4.5 112.6 1.0 CB A:ASN60 4.5 95.1 1.0 CA A:ILE63 4.5 83.6 1.0 CB A:ASP58 4.5 123.9 1.0 N A:GLY59 4.6 111.9 1.0 N A:ILE63 4.6 80.6 1.0 N A:ASP64 4.6 99.5 1.0 N A:GLY61 4.7 112.2 1.0 CA A:ASP58 4.7 125.3 1.0 CA A:ASN60 4.8 124.9 1.0 CA A:THR62 4.8 108.0 1.0 C A:ASP58 4.9 136.5 1.0 CB A:GLU67 4.9 106.2 1.0 OD2 A:ASP64 5.0 110.3 1.0 CG A:ASP64 5.0 115.7 1.0 O A:ASP56 5.0 134.9 1.0 C A:ASN60 5.0 118.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin


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 Human CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:83.0 occ:1.00 OD1 A:ASP93 2.3 100.9 1.0 O A:HOH302 2.3 86.7 1.0 OD1 A:ASP95 2.4 100.0 1.0 OE2 A:GLU104 2.4 91.0 1.0 O A:TYR99 2.4 83.2 1.0 OD1 A:ASN97 2.5 70.7 1.0 OE1 A:GLU104 2.6 90.5 1.0 CD A:GLU104 2.8 91.6 1.0 CG A:ASP95 3.3 95.1 1.0 CG A:ASP93 3.5 89.0 1.0 CG A:ASN97 3.5 89.4 1.0 C A:TYR99 3.6 75.3 1.0 OD2 A:ASP95 3.6 109.8 1.0 CA A:ASP93 4.1 90.4 1.0 ND2 A:ASN97 4.1 74.2 1.0 N A:ASN97 4.2 77.0 1.0 CB A:ASP93 4.3 91.8 1.0 N A:TYR99 4.3 81.1 1.0 CG A:GLU104 4.3 96.4 1.0 OD2 A:ASP93 4.3 73.3 1.0 C A:ASP93 4.4 96.1 1.0 N A:ASP95 4.4 98.9 1.0 N A:ILE100 4.5 70.7 1.0 CB A:ASN97 4.5 82.7 1.0 CA A:TYR99 4.5 64.9 1.0 CA A:ILE100 4.5 74.2 1.0 N A:LYS94 4.6 97.5 1.0 CB A:ASP95 4.6 102.3 1.0 N A:GLY96 4.6 92.6 1.0 N A:SER101 4.7 84.5 1.0 N A:GLY98 4.8 71.0 1.0 CA A:ASN97 4.8 78.9 1.0 CA A:ASP95 4.9 94.3 1.0 C A:ASP95 4.9 102.2 1.0 O A:ASP93 5.0 99.4 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Human CA2+/Calmodulin in Complex with Melittin


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 Human CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:86.4 occ:1.00 OD1 A:ASP131 2.2 92.6 1.0 OD1 A:ASP133 2.2 97.5 1.0 OD1 A:ASP129 2.3 93.7 1.0 O A:GLN135 2.3 68.8 1.0 OE1 A:GLU140 2.5 90.4 1.0 O A:HOH301 2.6 84.5 1.0 OE2 A:GLU140 2.7 79.8 1.0 CG A:ASP131 2.9 102.8 1.0 CD A:GLU140 3.0 76.8 1.0 OD2 A:ASP131 3.1 110.6 1.0 CG A:ASP133 3.2 93.6 1.0 CG A:ASP129 3.4 81.8 1.0 C A:GLN135 3.5 67.4 1.0 OD2 A:ASP133 3.7 87.0 1.0 N A:GLN135 4.0 73.0 1.0 OD2 A:ASP129 4.0 82.3 1.0 N A:ASP131 4.1 93.3 1.0 N A:ASP133 4.1 92.5 1.0 CB A:ASP131 4.3 90.8 1.0 CB A:ASP133 4.3 86.8 1.0 CA A:GLN135 4.3 71.4 1.0 N A:GLY132 4.3 81.8 1.0 N A:VAL136 4.4 61.7 1.0 CB A:ASP129 4.4 100.8 1.0 N A:ILE130 4.5 86.2 1.0 CA A:VAL136 4.5 67.0 1.0 CG A:GLU140 4.5 77.3 1.0 N A:ASN137 4.5 89.6 1.0 CA A:ASP129 4.6 88.3 1.0 N A:GLY134 4.6 81.1 1.0 CA A:ASP131 4.6 82.6 1.0 CA A:ASP133 4.6 91.5 1.0 C A:ASP131 4.8 80.7 1.0 CB A:GLN135 4.8 77.5 1.0 C A:ASP133 4.9 82.2 1.0 C A:ASP129 4.9 85.6 1.0 ND2 A:ASN137 4.9 88.9 1.0 C A:VAL136 5.0 85.9 1.0

Z.Durvanger, T.Juhasz, K.Liliom, V.Harmat. Structures of Calmodulin-Melittin Complexes Show Multiple Binding Modes Lacking Classical Anchoring Interactions. J.Biol.Chem. 04596 2023.
ISSN: ESSN 1083-351X
PubMed: 36906144
DOI: 10.1016/J.JBC.2023.104596