Calcium in PDB 6os4: Calmodulin in Complex with Farnesyl Cysteine Methyl Ester

The structure of Calmodulin in Complex with Farnesyl Cysteine Methyl Ester, PDB code: 6os4 was solved by B.M.M.Grant, M.Enomoto, K.Y.Lee, S.I.Back, T.Gebregiworgis, N.Ishiyama, M.Ikura, C.Marshall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.97 / 2.05
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	40.379, 40.379, 338.137, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.5

The binding sites of Calcium atom in the Calmodulin in Complex with Farnesyl Cysteine Methyl Ester (pdb code 6os4). 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 in Complex with Farnesyl Cysteine Methyl Ester, PDB code: 6os4:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin in Complex with Farnesyl Cysteine Methyl Ester


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin in Complex with Farnesyl Cysteine Methyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:34.2 occ:1.00 OD1 A:ASP20 2.2 40.1 1.0 O A:THR26 2.3 39.4 1.0 OD1 A:ASP24 2.4 41.0 1.0 OD1 A:ASP22 2.4 44.1 1.0 O A:HOH322 2.4 39.1 1.0 OE2 A:GLU31 2.5 37.5 1.0 OE1 A:GLU31 2.5 33.1 1.0 CD A:GLU31 2.8 40.3 1.0 CG A:ASP22 3.4 42.7 1.0 CG A:ASP24 3.4 45.6 1.0 CG A:ASP20 3.4 40.9 1.0 C A:THR26 3.5 32.5 1.0 OD2 A:ASP22 3.7 49.2 1.0 OD2 A:ASP24 3.9 51.2 1.0 N A:ASP24 4.2 48.2 1.0 OG1 A:THR26 4.2 52.5 1.0 N A:THR26 4.2 37.9 1.0 OD2 A:ASP20 4.2 44.5 1.0 CA A:ASP20 4.2 29.7 1.0 CB A:ASP20 4.3 36.0 1.0 CG A:GLU31 4.3 30.4 1.0 CA A:THR26 4.4 35.9 1.0 N A:ILE27 4.4 34.1 1.0 CB A:ASP24 4.4 51.1 1.0 N A:ASP22 4.4 47.8 1.0 C A:ASP20 4.5 39.1 1.0 CA A:ILE27 4.5 28.3 1.0 N A:GLY23 4.5 46.7 1.0 N A:LYS21 4.6 41.6 1.0 CB A:ASP22 4.6 45.6 1.0 CA A:ASP24 4.7 47.1 1.0 O A:HOH307 4.8 34.0 1.0 N A:GLY25 4.8 41.6 1.0 N A:THR28 4.9 30.8 1.0 CA A:ASP22 4.9 45.8 1.0 C A:ASP22 4.9 52.6 1.0 CG2 A:THR28 4.9 31.4 1.0 C A:ASP24 4.9 47.4 1.0 CB A:THR26 5.0 41.0 1.0 O A:ASP20 5.0 43.2 1.0

Calcium binding site 2 out of 4 in the Calmodulin in Complex with Farnesyl Cysteine Methyl Ester


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin in Complex with Farnesyl Cysteine Methyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:38.7 occ:1.00 OD1 A:ASP56 2.3 50.5 1.0 O A:THR62 2.3 35.7 1.0 OD1 A:ASN60 2.4 49.2 1.0 OD1 A:ASP58 2.4 47.0 1.0 O A:HOH303 2.4 52.6 1.0 OE1 A:GLU67 2.5 48.2 1.0 OE2 A:GLU67 2.6 48.8 1.0 CD A:GLU67 2.9 49.0 1.0 CG A:ASP58 3.3 57.2 1.0 CG A:ASN60 3.3 56.2 1.0 CG A:ASP56 3.5 52.2 1.0 C A:THR62 3.5 36.0 1.0 OD2 A:ASP58 3.6 57.8 1.0 O A:HOH324 3.8 46.5 1.0 ND2 A:ASN60 3.9 50.2 1.0 N A:ASN60 4.2 54.8 1.0 N A:THR62 4.2 43.4 1.0 CA A:ASP56 4.2 53.7 1.0 OD2 A:ASP56 4.3 51.8 1.0 CG A:GLU67 4.4 47.9 1.0 CB A:ASP56 4.4 51.2 1.0 N A:ILE63 4.4 39.9 1.0 CA A:ILE63 4.5 41.2 1.0 CA A:THR62 4.5 37.7 1.0 N A:ASP58 4.5 51.5 1.0 CB A:ASN60 4.5 56.4 1.0 OG1 A:THR62 4.5 39.9 1.0 N A:ASP64 4.5 40.7 1.0 C A:ASP56 4.6 53.7 1.0 N A:GLY59 4.6 58.6 1.0 CB A:ASP58 4.6 58.6 1.0 N A:ALA57 4.7 55.4 1.0 N A:GLY61 4.7 45.4 1.0 CA A:ASN60 4.7 51.4 1.0 OD2 A:ASP64 4.8 52.0 1.0 C A:ASN60 4.9 51.4 1.0 CG A:ASP64 4.9 48.0 1.0 CA A:ASP58 4.9 60.4 1.0 C A:ILE63 4.9 41.0 1.0 C A:ASP58 4.9 58.4 1.0

Calcium binding site 3 out of 4 in the Calmodulin in Complex with Farnesyl Cysteine Methyl Ester


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin in Complex with Farnesyl Cysteine Methyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:26.1 occ:1.00 OD1 A:ASP93 2.2 31.2 1.0 O A:TYR99 2.3 29.5 1.0 OD1 A:ASP95 2.4 35.8 1.0 OD1 A:ASN97 2.4 28.2 1.0 O A:HOH308 2.4 37.6 1.0 OE1 A:GLU104 2.4 30.1 1.0 OE2 A:GLU104 2.6 34.1 1.0 CD A:GLU104 2.8 31.4 1.0 CG A:ASP95 3.3 36.0 1.0 CG A:ASN97 3.4 26.7 1.0 CG A:ASP93 3.4 31.5 1.0 C A:TYR99 3.5 28.7 1.0 OD2 A:ASP95 3.7 36.3 1.0 ND2 A:ASN97 4.1 25.9 1.0 N A:TYR99 4.1 25.4 1.0 CA A:ASP93 4.1 34.2 1.0 O A:HOH316 4.2 31.2 1.0 N A:ASN97 4.2 25.2 1.0 CB A:ASP93 4.3 32.7 1.0 OD2 A:ASP93 4.3 31.0 1.0 CG A:GLU104 4.3 30.8 1.0 CA A:TYR99 4.3 26.4 1.0 N A:ILE100 4.4 28.3 1.0 CB A:ASN97 4.4 25.8 1.0 C A:ASP93 4.4 29.8 1.0 N A:ASP95 4.5 40.0 1.0 CA A:ILE100 4.5 25.4 1.0 CB A:ASP95 4.6 39.5 1.0 O A:HOH313 4.6 35.9 1.0 N A:GLY96 4.6 32.4 1.0 N A:LYS94 4.6 42.9 1.0 N A:SER101 4.7 29.3 1.0 CA A:ASN97 4.7 25.1 1.0 N A:GLY98 4.8 27.1 1.0 CB A:TYR99 4.8 27.8 1.0 CA A:ASP95 4.9 38.7 1.0 C A:ASP95 4.9 39.9 1.0 C A:ASN97 5.0 25.6 1.0 O A:ASP93 5.0 33.4 1.0

Calcium binding site 4 out of 4 in the Calmodulin in Complex with Farnesyl Cysteine Methyl Ester


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin in Complex with Farnesyl Cysteine Methyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:23.7 occ:1.00 OD1 A:ASP129 2.3 26.4 1.0 O A:GLN135 2.3 26.4 1.0 OD2 A:ASP131 2.4 27.7 1.0 OD1 A:ASP133 2.4 25.0 1.0 OE1 A:GLU140 2.4 26.6 1.0 O A:HOH318 2.5 29.4 1.0 OE2 A:GLU140 2.5 29.4 1.0 CD A:GLU140 2.8 28.9 1.0 CG A:ASP131 3.2 26.2 1.0 CG A:ASP133 3.3 25.6 1.0 CG A:ASP129 3.4 28.6 1.0 C A:GLN135 3.5 23.2 1.0 OD1 A:ASP131 3.5 30.9 1.0 OD2 A:ASP133 3.7 27.7 1.0 N A:ASP133 4.1 27.1 1.0 N A:GLN135 4.1 22.3 1.0 OD2 A:ASP129 4.1 28.5 1.0 N A:ASP131 4.2 28.1 1.0 N A:ILE130 4.3 27.1 1.0 CG A:GLU140 4.3 30.6 1.0 CA A:ASP129 4.3 29.2 1.0 CB A:ASP129 4.3 29.4 1.0 N A:VAL136 4.4 27.4 1.0 N A:GLY132 4.4 23.4 1.0 CB A:ASP133 4.4 25.5 1.0 CA A:GLN135 4.4 21.4 1.0 CA A:VAL136 4.4 27.1 1.0 N A:ASN137 4.4 27.1 1.0 CB A:ASP131 4.5 26.3 1.0 N A:GLY134 4.6 26.6 1.0 CA A:ASP133 4.6 24.4 1.0 CA A:ASP131 4.7 28.2 1.0 C A:ASP129 4.8 32.6 1.0 C A:ASP133 4.9 23.2 1.0 C A:ASP131 4.9 26.3 1.0 C A:VAL136 4.9 25.9 1.0

B.M.M.Grant, M.Enomoto, S.-I.Back, K.-Y.Lee, T.Gebregiworgis, N.Ishiyama, M.Ikura, C.Marshall. Calmodulin Disrupts Plasma Membrane Localization of Farnesylated KRAS4B By Sequestering Its Lipid Moiety Sci.Signal. V. 13 2020.
ISSN: ESSN 1937-9145
DOI: 10.1126/SCISIGNAL.AAZ0344