Calcium in PDB 8aht: Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin

The structure of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin, PDB code: 8aht 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)	47.43 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.9, 60.68, 68.45, 95.77, 89.99, 97.05
R / Rfree (%)	23.4 / 26.6

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>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin (pdb code 8aht). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin, PDB code: 8aht:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:41.6 occ:1.00 OD1 A:ASP22 2.2 55.7 1.0 OD1 A:ASP20 2.2 42.8 1.0 O A:HOH332 2.2 38.6 1.0 O A:THR26 2.2 38.2 1.0 OD1 A:ASP24 2.3 44.6 1.0 OE1 A:GLU31 2.5 38.4 1.0 OE2 A:GLU31 2.7 46.2 1.0 CD A:GLU31 2.9 41.1 1.0 CG A:ASP22 3.1 55.2 1.0 H A:ASP24 3.1 54.0 1.0 CG A:ASP20 3.3 43.6 1.0 CG A:ASP24 3.3 51.5 1.0 C A:THR26 3.4 34.1 1.0 OD2 A:ASP22 3.5 47.0 1.0 H A:THR26 3.5 43.7 1.0 HA A:ASP20 3.6 52.2 1.0 HA A:ILE27 3.6 45.8 1.0 H A:ASP22 3.7 69.1 1.0 H A:GLY23 3.8 68.2 1.0 N A:ASP24 4.0 44.9 1.0 O A:HOH305 4.0 38.1 1.0 OD2 A:ASP24 4.0 50.2 1.0 HG23 A:THR28 4.0 38.5 1.0 OD2 A:ASP20 4.1 34.8 1.0 HG1 A:THR26 4.1 41.0 1.0 N A:THR26 4.1 36.3 1.0 CA A:ASP20 4.2 43.4 1.0 H A:GLY25 4.3 50.3 1.0 N A:GLY23 4.3 56.8 1.0 CB A:ASP20 4.3 42.1 1.0 H A:THR28 4.3 39.1 1.0 N A:ASP22 4.3 57.5 1.0 H A:LYS21 4.3 61.4 1.0 N A:ILE27 4.3 34.0 1.0 CB A:ASP24 4.3 50.7 1.0 CA A:THR26 4.4 39.7 1.0 CB A:ASP22 4.4 61.3 1.0 CA A:ILE27 4.4 38.1 1.0 HB3 A:ASP24 4.4 61.0 1.0 CG A:GLU31 4.4 40.7 1.0 C A:ASP20 4.5 42.0 1.0 N A:LYS21 4.5 51.1 1.0 CA A:ASP24 4.6 52.9 1.0 HB2 A:ASP20 4.6 50.6 1.0 N A:GLY25 4.6 41.8 1.0 HB3 A:ASP22 4.7 73.7 1.0 CA A:ASP22 4.7 60.3 1.0 HG3 A:GLU31 4.7 48.9 1.0 C A:ASP22 4.7 54.5 1.0 OG1 A:THR26 4.8 34.0 1.0 C A:ASP24 4.8 50.2 1.0 N A:THR28 4.9 32.5 1.0 HG2 A:GLU31 4.9 48.9 1.0 C A:GLY23 5.0 49.4 1.0 HA2 A:GLY23 5.0 66.4 1.0 CA A:GLY23 5.0 55.2 1.0 CG2 A:THR28 5.0 32.0 1.0

Calcium binding site 2 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:23.3 occ:1.00 O A:HOH335 2.2 26.0 1.0 OD1 A:ASP56 2.2 20.1 1.0 OD1 A:ASP58 2.2 30.8 1.0 O A:THR62 2.4 25.3 1.0 OE1 A:GLU67 2.5 28.3 1.0 OD1 A:ASN60 2.5 28.7 1.0 OE2 A:GLU67 2.7 24.9 1.0 CD A:GLU67 2.9 28.0 1.0 CG A:ASP58 3.3 27.7 1.0 CG A:ASP56 3.4 28.2 1.0 H A:THR62 3.4 33.1 1.0 HD21 A:ASN60 3.4 40.1 1.0 H A:ASP58 3.5 31.7 1.0 CG A:ASN60 3.5 31.9 1.0 C A:THR62 3.5 31.2 1.0 OD2 A:ASP58 3.7 30.0 1.0 H A:ASN60 3.7 32.1 1.0 HA A:ASP56 3.7 34.2 1.0 H A:THR57 3.8 29.7 1.0 HG1 A:THR62 3.8 41.7 1.0 ND2 A:ASN60 3.8 33.3 1.0 H A:ASP64 3.9 37.4 1.0 HA A:ILE63 3.9 33.9 1.0 OD2 A:ASP56 4.0 23.1 1.0 N A:THR62 4.1 27.5 1.0 OG1 A:THR62 4.1 34.7 1.0 N A:ASP58 4.3 26.3 1.0 CA A:THR62 4.4 29.7 1.0 H A:GLY61 4.4 32.4 1.0 N A:ILE63 4.4 28.8 1.0 CG A:GLU67 4.5 27.9 1.0 CB A:ASP56 4.5 28.3 1.0 N A:THR57 4.5 24.7 1.0 CA A:ASP56 4.5 28.4 1.0 N A:ASP64 4.5 31.0 1.0 N A:ASN60 4.5 26.6 1.0 CA A:ILE63 4.6 28.2 1.0 H A:GLY59 4.6 33.0 1.0 CB A:ASP58 4.6 26.8 1.0 HG1 A:THR57 4.6 29.6 1.0 HB3 A:ASP64 4.6 40.4 1.0 HD22 A:ASN60 4.7 40.1 1.0 N A:GLY61 4.8 26.9 1.0 N A:GLY59 4.8 27.4 1.0 CA A:ASP58 4.8 32.8 1.0 C A:ASP58 4.8 28.6 1.0 CB A:ASN60 4.8 27.5 1.0 HB2 A:ASP56 4.8 34.0 1.0 HG2 A:GLU67 4.9 33.6 1.0 HG3 A:GLU67 4.9 33.6 1.0 CG A:ASP64 4.9 33.3 1.0 C A:ILE63 4.9 32.6 1.0 CB A:THR62 4.9 28.4 1.0 HB2 A:GLU67 4.9 39.2 1.0 C A:ASP56 5.0 23.6 1.0

Calcium binding site 3 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:53.8 occ:1.00 O A:HOH310 2.2 54.7 1.0 OD1 A:ASP95 2.2 70.5 1.0 O A:TYR99 2.2 54.0 1.0 OD1 A:ASP93 2.2 54.6 1.0 OE1 A:GLU104 2.4 62.1 1.0 OE2 A:GLU104 2.5 68.8 1.0 OD1 A:ASP97 2.5 63.5 1.0 CD A:GLU104 2.8 64.9 1.0 CG A:ASP95 3.1 62.0 1.0 H A:ASP95 3.3 71.8 1.0 C A:TYR99 3.4 63.3 1.0 HA A:ASP93 3.4 70.4 1.0 CG A:ASP93 3.4 59.9 1.0 CG A:ASP97 3.5 68.2 1.0 OD2 A:ASP95 3.5 74.4 1.0 H A:ASP97 3.5 81.9 1.0 H A:TYR99 3.5 64.8 1.0 HA A:ILE100 3.6 61.9 1.0 H A:ARG94 3.8 66.4 1.0 H A:GLY96 3.9 82.5 1.0 OD2 A:ASP97 4.0 68.8 1.0 H A:SER101 4.0 67.5 1.0 N A:ASP95 4.0 60.2 1.0 CA A:ASP93 4.1 58.6 1.0 N A:ARG94 4.2 55.8 1.0 N A:TYR99 4.2 54.0 1.0 OD2 A:ASP93 4.2 62.3 1.0 HB2 A:TYR99 4.3 60.8 1.0 CB A:ASP93 4.3 58.9 1.0 N A:ILE100 4.3 55.8 1.0 CG A:GLU104 4.3 63.9 1.0 CB A:ASP95 4.3 63.0 1.0 N A:ASP97 4.3 68.2 1.0 C A:ASP93 4.3 61.8 1.0 N A:GLY96 4.3 68.7 1.0 CA A:TYR99 4.3 59.7 1.0 CA A:ILE100 4.4 51.5 1.0 CA A:ASP95 4.5 69.8 1.0 HB2 A:ASP93 4.6 70.8 1.0 HB3 A:ASP95 4.6 75.0 1.0 N A:SER101 4.6 56.1 1.0 C A:ASP95 4.6 73.3 1.0 CB A:ASP97 4.6 59.7 1.0 HG3 A:GLU104 4.7 76.1 1.0 HG2 A:GLU104 4.7 76.1 1.0 H A:GLY98 4.7 82.3 1.0 HB3 A:ASP97 4.8 71.0 1.0 HB3 A:SER101 4.8 67.7 1.0 CB A:TYR99 4.8 51.1 1.0 C A:ARG94 4.9 67.6 1.0 CA A:ASP97 5.0 67.5 1.0 HB3 A:ARG94 5.0 87.9 1.0 HB2 A:GLU104 5.0 81.8 1.0

Calcium binding site 4 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:43.5 occ:1.00 OD1 A:ASP129 2.2 44.2 1.0 OD1 A:ASP133 2.2 52.5 1.0 O A:GLN135 2.3 42.1 1.0 OD1 A:ASP131 2.3 52.8 1.0 O A:HOH317 2.3 46.5 1.0 OE1 A:GLU140 2.6 45.1 1.0 OE2 A:GLU140 2.7 44.5 1.0 CD A:GLU140 3.0 45.7 1.0 CG A:ASP133 3.0 53.9 1.0 CG A:ASP129 3.3 45.6 1.0 OD2 A:ASP133 3.3 51.2 1.0 H A:ASP133 3.3 51.4 1.0 CG A:ASP131 3.4 42.3 1.0 C A:GLN135 3.4 47.9 1.0 H A:GLN135 3.5 57.6 1.0 HA A:ILE136 3.6 63.8 1.0 HA A:ASP129 3.6 50.9 1.0 OD2 A:ASP131 3.8 51.9 1.0 H A:ASP131 3.8 52.0 1.0 H A:ASN137 3.9 58.3 1.0 OD2 A:ASP129 4.0 46.5 1.0 H A:GLY132 4.1 62.9 1.0 N A:ASP133 4.1 42.7 1.0 N A:GLN135 4.2 47.9 1.0 H A:ILE130 4.2 55.3 1.0 CB A:ASP129 4.2 52.9 1.0 H A:GLY134 4.2 71.1 1.0 CA A:ASP129 4.3 42.3 1.0 HB2 A:ASP129 4.3 63.5 1.0 CB A:ASP133 4.3 53.5 1.0 N A:ILE136 4.3 45.2 1.0 CA A:ILE136 4.3 53.1 1.0 CA A:GLN135 4.4 47.9 1.0 N A:ASP131 4.4 43.3 1.0 N A:GLY132 4.4 52.4 1.0 CG A:GLU140 4.5 55.1 1.0 N A:ASN137 4.5 48.5 1.0 N A:ILE130 4.5 46.0 1.0 HB3 A:ASP133 4.5 64.3 1.0 C A:ASP129 4.6 41.2 1.0 N A:GLY134 4.6 59.1 1.0 CA A:ASP133 4.6 58.3 1.0 CG A:GLN135 4.6 55.3 1.0 CB A:ASP131 4.6 54.3 1.0 C A:ASP131 4.7 49.0 1.0 CA A:ASP131 4.8 57.3 1.0 HG2 A:GLU140 4.8 66.2 1.0 C A:ILE136 4.9 46.5 1.0 C A:ASP133 4.9 54.1 1.0 HB2 A:GLU140 4.9 56.8 1.0 HD1 A:TYR99 5.0 74.6 1.0 HB3 A:ASN137 5.0 67.5 1.0 HG3 A:GLU140 5.0 66.2 1.0 CG A:ASN137 5.0 51.2 1.0

Calcium binding site 5 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 5 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:31.8 occ:1.00 O B:HOH320 2.2 32.1 1.0 OD1 B:ASP22 2.3 36.1 1.0 OD1 B:ASP20 2.3 32.4 1.0 OE1 B:GLU31 2.4 39.3 1.0 OD1 B:ASP24 2.4 33.2 1.0 O B:THR26 2.4 38.0 1.0 OE2 B:GLU31 2.6 32.6 1.0 CD B:GLU31 2.8 40.8 1.0 CG B:ASP22 3.3 34.8 1.0 H B:ASP24 3.3 48.7 1.0 CG B:ASP24 3.3 39.2 1.0 CG B:ASP20 3.5 32.6 1.0 HA B:ILE27 3.5 40.7 1.0 HA B:ASP20 3.5 42.0 1.0 HG23 B:THR28 3.6 42.8 1.0 C B:THR26 3.6 34.1 1.0 H B:ASP22 3.7 53.3 1.0 OD2 B:ASP22 3.7 35.9 1.0 OD2 B:ASP24 3.9 35.0 1.0 H B:THR26 3.9 37.5 1.0 H B:THR28 3.9 48.2 1.0 H B:GLY23 3.9 48.0 1.0 H B:LYS21 4.1 46.2 1.0 N B:ASP24 4.2 40.5 1.0 CA B:ASP20 4.2 34.9 1.0 OD2 B:ASP20 4.3 33.0 1.0 CA B:ILE27 4.3 33.8 1.0 CG B:GLU31 4.3 35.1 1.0 N B:ASP22 4.3 44.4 1.0 CB B:ASP20 4.4 29.8 1.0 N B:ILE27 4.4 34.8 1.0 CB B:ASP24 4.4 40.9 1.0 N B:GLY23 4.4 39.9 1.0 N B:LYS21 4.4 38.4 1.0 HB3 B:ASP24 4.4 49.2 1.0 C B:ASP20 4.4 34.4 1.0 N B:THR26 4.5 31.1 1.0 N B:THR28 4.5 40.1 1.0 CG2 B:THR28 4.5 35.6 1.0 CB B:ASP22 4.5 37.5 1.0 HG3 B:GLU31 4.6 42.3 1.0 H B:GLY25 4.6 42.9 1.0 CA B:THR26 4.7 40.8 1.0 HB2 B:ASP20 4.7 35.9 1.0 CA B:ASP24 4.7 40.4 1.0 HG2 B:GLU31 4.8 42.3 1.0 O B:HOH319 4.8 38.6 1.0 CA B:ASP22 4.8 36.9 1.0 HG21 B:THR28 4.8 42.8 1.0 HB3 B:ASP22 4.8 45.1 1.0 C B:ILE27 4.9 41.8 1.0 C B:ASP22 4.9 32.2 1.0 OG1 B:THR26 4.9 34.6 1.0 HB2 B:GLU31 4.9 51.3 1.0 N B:GLY25 5.0 35.7 1.0 HG22 B:THR28 5.0 42.8 1.0

Calcium binding site 6 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 6 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:34.1 occ:1.00 OD1 B:ASP56 2.2 29.2 1.0 O B:HOH321 2.2 44.8 1.0 O B:THR62 2.3 34.6 1.0 OD1 B:ASP58 2.4 33.6 1.0 OE1 B:GLU67 2.5 32.1 1.0 OD1 B:ASN60 2.6 33.9 1.0 OE2 B:GLU67 2.9 26.9 1.0 CD B:GLU67 3.0 29.8 1.0 CG B:ASP56 3.3 30.5 1.0 H B:THR62 3.4 43.1 1.0 CG B:ASP58 3.5 38.5 1.0 H B:ASP58 3.5 39.9 1.0 HD21 B:ASN60 3.5 39.0 1.0 C B:THR62 3.5 36.1 1.0 CG B:ASN60 3.5 33.0 1.0 HA B:ASP56 3.6 36.3 1.0 H B:THR57 3.7 40.1 1.0 H B:ASN60 3.8 42.4 1.0 OD2 B:ASP58 3.9 35.8 1.0 ND2 B:ASN60 3.9 32.4 1.0 OD2 B:ASP56 3.9 34.2 1.0 HG1 B:THR62 4.0 46.4 1.0 H B:ASP64 4.0 27.8 1.0 HA B:ILE63 4.0 45.5 1.0 N B:THR62 4.1 35.8 1.0 OG1 B:THR62 4.2 38.6 1.0 N B:ASP58 4.3 33.1 1.0 CB B:ASP56 4.4 34.4 1.0 CA B:ASP56 4.4 30.1 1.0 N B:THR57 4.4 33.4 1.0 CA B:THR62 4.4 36.8 1.0 H B:GLY61 4.4 38.8 1.0 N B:ILE63 4.5 40.1 1.0 CG B:GLU67 4.5 38.0 1.0 HG1 B:THR57 4.6 45.6 1.0 N B:ASP64 4.6 23.6 1.0 CA B:ILE63 4.6 37.8 1.0 N B:ASN60 4.6 35.3 1.0 HB3 B:ASP64 4.6 38.3 1.0 HB2 B:ASP56 4.7 41.4 1.0 H B:GLY59 4.7 38.6 1.0 CB B:ASP58 4.7 30.6 1.0 HD22 B:ASN60 4.8 39.0 1.0 N B:GLY61 4.8 32.8 1.0 CB B:ASN60 4.9 33.3 1.0 CA B:ASP58 4.9 31.1 1.0 N B:GLY59 4.9 32.4 1.0 C B:ASP56 4.9 34.5 1.0 C B:ASP58 4.9 32.4 1.0 C B:ILE63 4.9 36.4 1.0 HG2 B:GLU67 5.0 45.7 1.0 HB2 B:GLU67 5.0 37.4 1.0 HG3 B:GLU67 5.0 45.7 1.0 CB B:THR62 5.0 40.8 1.0

Calcium binding site 7 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 7 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:51.8 occ:1.00 O B:TYR99 2.2 53.1 1.0 OD1 B:ASP95 2.3 56.8 1.0 OD1 B:ASP97 2.3 58.8 1.0 OD1 B:ASP93 2.3 60.0 1.0 OE1 B:GLU104 2.4 49.9 1.0 OE2 B:GLU104 2.5 58.9 1.0 CD B:GLU104 2.8 53.8 1.0 O B:HOH325 3.1 59.2 1.0 CG B:ASP95 3.2 47.0 1.0 H B:ASP95 3.3 69.6 1.0 CG B:ASP97 3.3 64.4 1.0 C B:TYR99 3.4 54.2 1.0 H B:ASP97 3.5 76.7 1.0 H B:TYR99 3.5 78.2 1.0 CG B:ASP93 3.5 59.0 1.0 HA B:ASP93 3.5 61.5 1.0 OD2 B:ASP95 3.6 66.2 1.0 HA B:ILE100 3.6 61.4 1.0 OD2 B:ASP97 3.7 69.4 1.0 H B:SER101 3.8 56.3 1.0 H B:ARG94 3.8 67.6 1.0 H B:GLY96 4.0 64.4 1.0 N B:ASP95 4.0 57.9 1.0 HB2 B:TYR99 4.1 74.9 1.0 N B:ARG94 4.2 56.2 1.0 N B:TYR99 4.2 65.1 1.0 CA B:ASP93 4.2 51.2 1.0 CG B:GLU104 4.3 51.6 1.0 N B:ASP97 4.3 63.8 1.0 N B:ILE100 4.3 48.0 1.0 CA B:TYR99 4.3 58.3 1.0 OD2 B:ASP93 4.3 60.6 1.0 CA B:ILE100 4.3 51.1 1.0 CB B:ASP95 4.4 55.3 1.0 N B:GLY96 4.4 53.6 1.0 C B:ASP93 4.4 57.1 1.0 CB B:ASP93 4.4 56.0 1.0 N B:SER101 4.5 46.9 1.0 CB B:ASP97 4.5 60.8 1.0 HB3 B:SER101 4.5 59.8 1.0 CA B:ASP95 4.6 54.6 1.0 HB3 B:ASP97 4.6 73.0 1.0 HG3 B:GLU104 4.6 62.0 1.0 HB3 B:ASP95 4.7 66.5 1.0 C B:ASP95 4.7 57.5 1.0 HG2 B:GLU104 4.7 62.0 1.0 H B:GLY98 4.7 81.5 1.0 HB2 B:ASP93 4.7 67.2 1.0 CB B:TYR99 4.8 62.3 1.0 HB3 B:ARG94 4.8 66.6 1.0 CA B:ASP97 4.9 63.4 1.0 C B:ILE100 4.9 50.4 1.0 C B:ARG94 5.0 61.0 1.0 HB2 B:GLU104 5.0 62.5 1.0

Calcium binding site 8 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 8 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:61.5 occ:1.00 OD1 B:ASP131 2.2 65.8 1.0 OD1 B:ASP129 2.2 68.1 1.0 O B:GLN135 2.2 56.0 1.0 OE1 B:GLU140 2.4 56.5 1.0 OD1 B:ASP133 2.5 68.3 1.0 O B:HOH307 2.6 58.5 1.0 OE2 B:GLU140 2.6 61.5 1.0 CD B:GLU140 2.9 63.2 1.0 CG B:ASP131 3.2 59.7 1.0 CG B:ASP129 3.3 64.4 1.0 CG B:ASP133 3.4 65.8 1.0 HD13 B:ILE136 3.4 0.2 1.0 C B:GLN135 3.5 65.0 1.0 H B:ASP133 3.5 85.0 1.0 HA B:ILE136 3.5 69.2 1.0 HA B:ASP129 3.6 63.1 1.0 H B:ASP131 3.6 80.0 1.0 H B:GLN135 3.6 79.2 1.0 OD2 B:ASP131 3.6 67.2 1.0 OD2 B:ASP133 3.7 70.6 1.0 H B:ASN137 3.8 66.1 1.0 H B:GLY132 4.0 83.2 1.0 H B:ILE130 4.0 71.1 1.0 OD2 B:ASP129 4.1 72.4 1.0 HD21 B:ASN137 4.1 71.8 1.0 CB B:ASP129 4.2 55.5 1.0 ND2 B:ASN137 4.2 59.8 1.0 N B:ASP131 4.2 66.5 1.0 CA B:ASP129 4.2 52.5 1.0 HD22 B:ASN137 4.2 71.8 1.0 N B:GLN135 4.2 65.9 1.0 HB2 B:ASP129 4.2 66.7 1.0 N B:ASP133 4.3 70.7 1.0 CA B:ILE136 4.3 57.6 1.0 N B:ILE136 4.3 69.5 1.0 H B:GLY134 4.3 86.4 1.0 N B:GLY132 4.4 69.3 1.0 CG B:GLU140 4.4 66.4 1.0 N B:ILE130 4.4 59.1 1.0 CB B:ASP131 4.4 70.4 1.0 N B:ASN137 4.5 55.0 1.0 CA B:GLN135 4.5 63.9 1.0 C B:ASP129 4.6 58.6 1.0 CB B:ASP133 4.6 59.0 1.0 CG B:ASN137 4.7 60.2 1.0 CA B:ASP131 4.7 66.2 1.0 C B:ASP131 4.7 68.2 1.0 HG2 B:GLU140 4.8 79.7 1.0 N B:GLY134 4.8 71.9 1.0 HB3 B:ASP131 4.8 84.6 1.0 C B:ILE136 4.8 57.4 1.0 HB2 B:GLU140 4.8 82.0 1.0 HG3 B:GLU140 4.8 79.7 1.0 HB3 B:ASP133 4.8 70.9 1.0 CA B:ASP133 4.9 67.1 1.0 HB3 B:ASN137 4.9 71.7 1.0 HD12 B:ILE136 4.9 0.2 1.0

Calcium binding site 9 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 9 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:29.2 occ:1.00 OD1 C:ASP20 2.2 31.3 1.0 O C:HOH321 2.2 26.9 1.0 O C:THR26 2.2 37.3 1.0 OE1 C:GLU31 2.4 30.6 1.0 OD1 C:ASP22 2.5 37.3 1.0 OE2 C:GLU31 2.5 30.0 1.0 OD1 C:ASP24 2.5 34.6 1.0 CD C:GLU31 2.8 39.9 1.0 HA C:ASP20 3.3 48.9 1.0 CG C:ASP20 3.3 32.1 1.0 CG C:ASP22 3.4 36.7 1.0 H C:THR26 3.4 39.3 1.0 C C:THR26 3.4 33.1 1.0 CG C:ASP24 3.5 34.8 1.0 HG1 C:THR26 3.6 53.0 1.0 H C:ASP24 3.6 40.8 1.0 OD2 C:ASP22 3.6 44.5 1.0 H C:ASP22 3.8 48.6 1.0 HA C:ILE27 3.8 36.9 1.0 OG1 C:THR26 3.9 44.1 1.0 HG23 C:THR28 4.0 38.5 1.0 OD2 C:ASP24 4.0 39.2 1.0 HB2 C:ASP20 4.0 43.5 1.0 CB C:ASP20 4.0 36.2 1.0 CA C:ASP20 4.0 40.7 1.0 N C:THR26 4.1 32.6 1.0 H C:THR28 4.2 42.9 1.0 OD2 C:ASP20 4.2 32.8 1.0 H C:LYS21 4.3 47.0 1.0 CG C:GLU31 4.3 39.9 1.0 H C:GLY23 4.3 39.6 1.0 CA C:THR26 4.3 36.7 1.0 N C:ILE27 4.4 34.6 1.0 N C:ASP24 4.4 33.9 1.0 C C:ASP20 4.5 36.6 1.0 CA C:ILE27 4.5 30.7 1.0 N C:ASP22 4.5 40.4 1.0 N C:LYS21 4.6 39.1 1.0 CB C:ASP24 4.6 35.7 1.0 HG3 C:GLU31 4.6 47.9 1.0 HB3 C:ASP24 4.6 42.3 1.0 HG2 C:GLU31 4.7 47.9 1.0 CB C:ASP22 4.7 41.9 1.0 H C:GLY25 4.7 41.7 1.0 N C:GLY23 4.7 32.9 1.0 CB C:THR26 4.7 34.9 1.0 N C:THR28 4.9 35.6 1.0 CA C:ASP24 4.9 36.6 1.0 HB3 C:ASP20 4.9 43.5 1.0 CG2 C:THR28 4.9 32.5 1.0 N C:GLY25 4.9 34.6 1.0 HB3 C:ASP22 5.0 50.4 1.0 O C:HOH316 5.0 34.8 1.0

Calcium binding site 10 out of 16 in the Crystal Structure of Plasmodium Falciparum 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 10 of Crystal Structure of Plasmodium Falciparum CA2+/Calmodulin in Complex with Melittin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:41.8 occ:1.00 OD1 C:ASP56 2.1 36.2 1.0 O C:HOH314 2.3 41.1 1.0 OD1 C:ASP58 2.3 44.2 1.0 OD1 C:ASN60 2.4 40.8 1.0 O C:THR62 2.5 41.1 1.0 OE2 C:GLU67 2.5 39.7 1.0 OE1 C:GLU67 2.5 33.6 1.0 CD C:GLU67 2.9 41.1 1.0 CG C:ASP58 3.1 42.1 1.0 OD2 C:ASP58 3.3 42.2 1.0 CG C:ASN60 3.3 39.9 1.0 CG C:ASP56 3.4 40.7 1.0 O C:HOH301 3.5 29.1 1.0 HD21 C:ASN60 3.6 61.2 1.0 HA C:ASP56 3.6 47.3 1.0 H C:ASN60 3.6 61.3 1.0 C C:THR62 3.6 33.4 1.0 H C:THR62 3.7 44.3 1.0 HA C:ILE63 3.7 38.2 1.0 H C:ASP58 3.7 57.5 1.0 ND2 C:ASN60 3.8 50.9 1.0 H C:ASP64 4.0 34.4 1.0 HB2 C:ASP56 4.2 46.6 1.0 CB C:ASP56 4.2 38.7 1.0 H C:GLY59 4.2 53.8 1.0 OD2 C:ASP56 4.2 38.7 1.0 CA C:ASP56 4.3 39.3 1.0 CG C:GLU67 4.3 41.6 1.0 CB C:ASP58 4.4 43.5 1.0 OD2 C:ASP64 4.4 35.9 1.0 N C:THR62 4.4 37.1 1.0 N C:ASN60 4.4 51.0 1.0 CA C:ILE63 4.4 31.7 1.0 N C:ILE63 4.5 29.2 1.0 N C:ASP64 4.5 28.5 1.0 N C:ASP58 4.5 47.9 1.0 CG C:ASP64 4.5 26.8 1.0 CB C:ASN60 4.5 44.4 1.0 HB3 C:ASP58 4.6 52.3 1.0 H C:THR57 4.6 45.8 1.0 H C:GLY61 4.6 51.6 1.0 HB3 C:ASP64 4.6 46.9 1.0 HD22 C:ASN60 4.6 61.2 1.0 OG1 C:THR62 4.6 35.0 1.0 HB3 C:ASN60 4.6 52.7 1.0 HG3 C:GLU67 4.6 50.1 1.0 CA C:THR62 4.6 38.1 1.0 N C:GLY59 4.7 44.7 1.0 C C:ASP56 4.7 44.3 1.0 OD1 C:ASP64 4.7 33.5 1.0 N C:THR57 4.8 38.1 1.0 HG2 C:GLU67 4.8 50.1 1.0 C C:ILE63 4.8 37.2 1.0 CA C:ASP58 4.9 38.6 1.0 CA C:ASN60 4.9 45.9 1.0 HB2 C:GLU67 4.9 39.1 1.0 N C:GLY61 4.9 43.4 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