Calcium in PDB 8rx8: The Structure of CML18 in Complex with 4 CA2+ Ions

The structure of The Structure of CML18 in Complex with 4 CA2+ Ions, PDB code: 8rx8 was solved by M.Daniel-Mozo, A.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.80 / 2.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.34, 74.34, 131.33, 90, 90, 90
R / Rfree (%)	25 / 28.5

The binding sites of Calcium atom in the The Structure of CML18 in Complex with 4 CA2+ Ions (pdb code 8rx8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Structure of CML18 in Complex with 4 CA2+ Ions, PDB code: 8rx8:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Structure of CML18 in Complex with 4 CA2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of CML18 in Complex with 4 CA2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:73.0 occ:0.82 OD1 A:ASN67 2.2 94.8 1.0 O A:LEU71 2.2 86.5 1.0 OE1 A:GLU76 2.2 72.0 1.0 OD1 A:ASP65 2.2 67.4 1.0 OE1 A:GLU73 2.3 84.5 1.0 CD A:GLU76 3.0 72.4 1.0 CD A:GLU73 3.0 85.1 1.0 CG A:ASN67 3.1 85.0 1.0 OE2 A:GLU73 3.1 81.2 1.0 OE2 A:GLU76 3.2 63.0 1.0 CB A:ASN69 3.2 72.6 1.0 ND2 A:ASN67 3.4 90.6 1.0 C A:LEU71 3.5 78.6 1.0 CG A:ASP65 3.5 67.4 1.0 OD1 A:ASN69 3.6 128.8 1.0 CG A:ASN69 3.7 115.0 1.0 N A:ASN69 4.0 89.8 1.0 N A:LEU71 4.1 60.2 1.0 CA A:ASP65 4.2 69.3 1.0 CA A:ASN69 4.2 77.9 1.0 CG A:GLU76 4.3 71.1 1.0 OD2 A:ASP65 4.3 79.3 1.0 N A:GLU73 4.4 71.8 1.0 N A:VAL72 4.4 72.3 1.0 CB A:ASP65 4.4 64.3 1.0 CA A:VAL72 4.4 60.2 1.0 N A:GLY70 4.4 66.7 1.0 CA A:LEU71 4.4 66.1 1.0 CB A:ASN67 4.4 65.6 1.0 CG A:GLU73 4.5 90.8 1.0 N A:ASN67 4.7 75.8 1.0 C A:ASP65 4.8 82.6 1.0 C A:ASN69 4.8 75.5 1.0 C A:VAL72 4.8 67.7 1.0 ND2 A:ASN69 4.8 123.8 1.0 N A:ARG66 4.8 81.6 1.0 CB A:GLU73 4.9 73.6 1.0 N A:ASN68 4.9 86.5 1.0 CA A:ASN67 5.0 65.7 1.0

Calcium binding site 2 out of 4 in the The Structure of CML18 in Complex with 4 CA2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of CML18 in Complex with 4 CA2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:80.0 occ:1.00 OD1 A:ASP139 2.3 81.3 1.0 OD1 A:ASP141 2.3 99.4 1.0 OE1 A:GLU150 2.4 97.3 1.0 OD1 A:ASP143 2.4 100.9 1.0 O A:CYS145 2.4 91.4 1.0 OE2 A:GLU150 2.7 96.3 1.0 CD A:GLU150 2.9 92.5 1.0 O A:HOH301 2.9 79.7 1.0 CG A:ASP143 3.2 103.5 1.0 C A:CYS145 3.4 79.4 1.0 CG A:ASP139 3.4 82.6 1.0 OD2 A:ASP143 3.5 105.1 1.0 CG A:ASP141 3.5 95.5 1.0 CB A:ASP139 4.0 84.7 1.0 OD2 A:ASP141 4.0 86.6 1.0 CA A:ILE146 4.0 70.9 1.0 N A:ASP143 4.1 100.3 1.0 N A:ILE146 4.1 73.0 1.0 N A:CYS145 4.2 98.0 1.0 CA A:ASP139 4.2 84.9 1.0 N A:GLY142 4.3 87.1 1.0 N A:ARG140 4.4 95.5 1.0 CG A:GLU150 4.4 70.7 1.0 N A:ASP141 4.4 95.2 1.0 CA A:CYS145 4.4 88.5 1.0 CB A:ASP143 4.5 105.2 1.0 OD2 A:ASP139 4.5 96.4 1.0 N A:GLY144 4.5 83.2 1.0 OD2 A:ASP147 4.5 94.9 1.0 N A:ASP147 4.6 58.8 1.0 CA A:ASP143 4.7 95.8 1.0 CB A:ASP141 4.7 97.2 1.0 C A:ASP139 4.7 89.3 1.0 C A:ASP141 4.8 86.3 1.0 C A:ILE146 4.8 73.9 1.0 CA A:ASP141 4.8 95.2 1.0 C A:GLY144 4.9 89.6 1.0 C A:ASP143 4.9 92.0 1.0 C A:GLY142 5.0 95.1 1.0

Calcium binding site 3 out of 4 in the The Structure of CML18 in Complex with 4 CA2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of CML18 in Complex with 4 CA2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:58.9 occ:0.80 OD1 A:ASP105 2.3 74.0 1.0 OE1 A:GLU114 2.6 73.7 1.0 O A:TYR109 2.6 67.4 1.0 OE2 A:GLU114 2.6 84.2 1.0 CD A:GLU114 2.7 77.7 1.0 ND2 A:ASN107 2.9 73.4 1.0 OD1 A:ASN107 2.9 64.2 1.0 CG2 A:THR111 3.0 67.8 1.0 OD1 A:ASP103 3.1 62.2 1.0 CG A:ASN107 3.2 67.2 1.0 CG A:ASP105 3.5 78.4 1.0 C A:TYR109 3.8 64.3 1.0 CG A:GLU114 3.9 72.8 1.0 N A:THR111 4.0 60.0 1.0 CG A:ASP103 4.1 65.3 1.0 OD2 A:ASP105 4.2 89.6 1.0 CB A:THR111 4.4 68.4 1.0 CB A:ASP105 4.4 64.7 1.0 OD2 A:ASP103 4.6 73.1 1.0 N A:ILE110 4.6 58.0 1.0 CA A:ILE110 4.6 51.9 1.0 CB A:ASN107 4.7 73.3 1.0 CA A:TYR109 4.7 61.7 1.0 CB A:TYR109 4.8 60.3 1.0 C A:ILE110 4.8 58.8 1.0 N A:TYR109 4.8 63.5 1.0 CA A:THR111 4.9 60.6 1.0 CB A:GLU114 5.0 62.3 1.0 OG1 A:THR111 5.0 67.0 1.0

Calcium binding site 4 out of 4 in the The Structure of CML18 in Complex with 4 CA2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Structure of CML18 in Complex with 4 CA2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:108.3 occ:0.56 O A:SER35 2.2 70.3 1.0 OD1 A:ASN31 2.2 118.0 1.0 OD1 A:ASP33 2.9 108.9 1.0 OD2 A:ASP33 3.0 108.8 1.0 CG2 A:THR37 3.0 71.5 1.0 OE1 A:GLU40 3.1 85.0 1.0 C A:SER35 3.3 71.6 1.0 CG A:ASP33 3.3 106.8 1.0 CG A:ASN31 3.4 112.2 1.0 OE2 A:GLU40 3.7 107.4 1.0 CD A:GLU40 3.8 93.7 1.0 OG A:SER35 3.9 88.3 1.0 N A:THR37 4.0 57.8 1.0 OD1 A:ASP29 4.0 107.7 1.0 CA A:LEU36 4.1 62.7 1.0 N A:LEU36 4.1 65.6 1.0 C A:LEU36 4.2 61.1 1.0 CD1 A:LEU71 4.2 68.1 1.0 ND2 A:ASN31 4.3 120.9 1.0 CA A:SER35 4.3 70.2 1.0 CB A:THR37 4.4 67.3 1.0 CB A:ASN31 4.4 80.5 1.0 OD2 A:ASP29 4.4 83.4 1.0 CG A:ASP29 4.5 95.8 1.0 N A:SER35 4.5 77.8 1.0 CB A:SER35 4.6 78.7 1.0 CA A:THR37 4.7 57.8 1.0 CB A:ASP33 4.8 92.2 1.0 OG1 A:THR37 4.9 73.1 1.0 O A:LEU36 4.9 59.6 1.0

M.Daniel-Mozo, A.Albert. The Vacuolar K+/H+ Exchangers and Calmodulin-Like CML18 Constitute A pH-Sensing Module That Regulates K+ Status in Arabidopsis Sci Adv.
ISSN: ESSN 2375-2548