Calcium in PDB 2zfd: The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14

The structure of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14, PDB code: 2zfd was solved by M.Akaboshi, H.Hashimoto, H.Ishida, N.Koizumi, M.Sato, T.Shimizu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.092, 45.481, 92.390, 90.00, 92.64, 90.00
R / Rfree (%)	18 / 19.2

The binding sites of Calcium atom in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 (pdb code 2zfd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14, PDB code: 2zfd:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca227 b:6.5 occ:1.00 O A:SER58 2.3 9.0 1.0 O A:LEU66 2.3 7.2 1.0 O A:HOH267 2.4 7.7 1.0 OD2 A:ASP64 2.4 7.8 1.0 O A:ILE62 2.4 8.1 1.0 OE1 A:GLU71 2.4 6.2 1.0 OE2 A:GLU71 2.5 6.7 1.0 CD A:GLU71 2.8 5.6 1.0 C A:SER58 3.4 9.1 1.0 CG A:ASP64 3.4 9.1 1.0 C A:LEU66 3.5 7.1 1.0 C A:ILE62 3.6 9.6 1.0 OD1 A:ASP64 3.8 10.4 1.0 CA A:SER58 4.0 9.5 1.0 N A:ILE62 4.1 9.5 1.0 N A:LEU66 4.1 7.9 1.0 CA A:ILE62 4.2 9.9 1.0 CB A:ILE62 4.2 9.9 1.0 N A:ASP64 4.3 10.0 1.0 CG A:GLU71 4.3 6.6 1.0 CA A:LEU66 4.4 7.4 1.0 N A:ILE67 4.4 6.4 1.0 CB A:SER58 4.5 9.6 1.0 N A:SER59 4.5 10.1 1.0 CA A:ILE67 4.5 6.3 1.0 N A:ASN68 4.5 5.3 1.0 N A:ASP63 4.7 10.2 1.0 CB A:ASP64 4.7 9.7 1.0 CA A:SER59 4.8 10.6 1.0 N A:GLY65 4.8 9.2 1.0 CA A:ASP64 4.9 9.7 1.0 CB A:LEU66 4.9 7.2 1.0 O A:HOH334 4.9 16.0 1.0 CG A:ASN68 4.9 5.7 1.0 ND2 A:ASN68 4.9 7.0 1.0 C A:ILE67 5.0 5.8 1.0

Calcium binding site 2 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca228 b:9.9 occ:1.00 OD1 A:ASP95 2.3 11.0 1.0 O A:ILE101 2.3 9.3 1.0 O A:HOH324 2.3 14.4 1.0 OD1 A:ASN99 2.4 12.9 1.0 OE2 A:GLU106 2.5 9.6 1.0 O A:LYS97 2.5 13.5 1.0 OE1 A:GLU106 2.5 11.2 1.0 CD A:GLU106 2.9 8.9 1.0 CG A:ASN99 3.4 12.9 1.0 CG A:ASP95 3.5 9.7 1.0 C A:ILE101 3.5 8.0 1.0 C A:LYS97 3.6 13.2 1.0 ND2 A:ASN99 3.8 15.8 1.0 CB A:LYS97 4.0 13.5 1.0 N A:ASN99 4.2 11.9 1.0 N A:ILE101 4.2 9.0 1.0 CA A:LEU102 4.3 7.6 1.0 CA A:LYS97 4.3 13.0 1.0 OD2 A:ASP95 4.3 11.3 1.0 N A:LEU102 4.3 7.7 1.0 CA A:ASP95 4.4 7.7 1.0 N A:LYS97 4.4 11.9 1.0 CG A:GLU106 4.4 7.8 1.0 CB A:ASP95 4.5 8.1 1.0 CA A:ILE101 4.5 8.6 1.0 CG A:LYS97 4.6 13.8 1.0 CB A:ASN99 4.7 12.0 1.0 CD2 A:LEU102 4.7 8.9 1.0 C A:ASP95 4.7 8.5 1.0 N A:HIS98 4.7 13.6 1.0 CG2 A:ILE101 4.8 10.7 1.0 N A:GLY103 4.8 7.3 1.0 CA A:ASN99 4.8 11.7 1.0 N A:GLY100 4.8 10.4 1.0 N A:THR96 5.0 8.6 1.0

Calcium binding site 3 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca229 b:5.0 occ:1.00 OD1 A:ASP176 2.3 9.2 1.0 O A:LYS182 2.3 7.0 1.0 O A:HOH325 2.3 7.5 1.0 OD1 A:ASP180 2.4 6.0 1.0 O A:LYS178 2.4 7.4 1.0 OE2 A:GLU187 2.4 5.3 1.0 OE1 A:GLU187 2.5 5.1 1.0 CD A:GLU187 2.8 4.8 1.0 CG A:ASP180 3.3 6.8 1.0 CG A:ASP176 3.5 6.8 1.0 C A:LYS182 3.5 6.0 1.0 C A:LYS178 3.6 7.3 1.0 OD2 A:ASP180 3.7 9.7 1.0 N A:ASP180 4.1 6.5 1.0 N A:LYS182 4.1 6.1 1.0 CB A:LYS178 4.2 7.9 1.0 CA A:ASP176 4.2 6.2 1.0 CA A:LYS178 4.3 7.3 1.0 N A:LYS178 4.3 6.4 1.0 CG A:GLU187 4.3 4.8 1.0 OD2 A:ASP176 4.3 7.8 1.0 CB A:ASP176 4.4 6.3 1.0 CA A:LYS182 4.4 6.5 1.0 N A:ILE183 4.4 5.4 1.0 CA A:ILE183 4.5 5.5 1.0 N A:ASP184 4.5 5.0 1.0 CB A:ASP180 4.5 6.7 1.0 C A:ASP176 4.6 6.3 1.0 OD2 A:ASP184 4.6 6.7 1.0 N A:HIS179 4.6 7.8 1.0 N A:GLY181 4.7 5.9 1.0 CA A:ASP180 4.7 6.2 1.0 CG A:LYS178 4.8 11.2 1.0 CA A:HIS179 4.8 8.5 1.0 CB A:LYS182 4.8 7.9 1.0 N A:THR177 4.9 6.1 1.0 CG A:ASP184 4.9 5.9 1.0 C A:ASP180 4.9 6.3 1.0 C A:HIS179 4.9 7.6 1.0 C A:ILE183 5.0 5.3 1.0

Calcium binding site 4 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca230 b:7.2 occ:1.00 OD1 A:ASP132 2.3 7.5 1.0 OE1 A:GLU140 2.4 11.6 1.0 O A:PHE138 2.4 7.7 1.0 OE1 A:GLN136 2.4 10.4 1.0 O A:GLY137 2.5 8.5 1.0 OE2 A:GLU143 2.5 6.9 1.0 OE1 A:GLU143 2.5 7.6 1.0 CD A:GLU143 2.9 6.4 1.0 CG A:ASP132 3.4 7.9 1.0 C A:GLY137 3.4 8.5 1.0 CD A:GLN136 3.4 12.4 1.0 C A:PHE138 3.5 6.3 1.0 CD A:GLU140 3.5 12.7 1.0 NE2 A:GLN136 3.8 14.9 1.0 CG A:GLU140 4.1 10.3 1.0 N A:GLY137 4.1 9.9 1.0 N A:PHE138 4.1 7.5 1.0 CA A:ASP132 4.2 6.6 1.0 OD2 A:ASP132 4.2 10.2 1.0 CB A:ASP132 4.2 7.2 1.0 CA A:PHE138 4.2 7.0 1.0 CA A:GLY137 4.4 9.5 1.0 CG A:GLU143 4.4 6.8 1.0 C A:ASP132 4.4 6.0 1.0 N A:GLU140 4.4 6.5 1.0 N A:ILE139 4.5 5.8 1.0 OE2 A:GLU140 4.5 17.2 1.0 CB A:PHE138 4.5 7.5 1.0 N A:GLN136 4.6 10.6 1.0 C A:GLN136 4.6 10.4 1.0 CB A:GLU140 4.6 7.9 1.0 N A:LYS134 4.6 8.7 1.0 CA A:ILE139 4.6 6.4 1.0 CE A:LYS134 4.7 17.4 1.0 CB A:LYS134 4.7 9.9 1.0 N A:LEU133 4.7 6.5 1.0 CG A:GLN136 4.8 11.9 1.0 N A:GLN135 4.8 9.7 1.0 O A:ASP132 4.9 7.3 1.0 C A:ILE139 5.0 6.8 1.0

Calcium binding site 5 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca231 b:6.1 occ:1.00 OE2 A:GLU83 2.3 6.6 1.0 O A:ASN80 2.3 6.7 1.0 O A:HOH258 2.3 7.4 1.0 CD A:GLU83 3.5 6.4 1.0 C A:ASN80 3.5 6.2 1.0 CB A:ASN80 4.2 6.6 1.0 NE2 A:GLN73 4.2 8.1 1.0 CG A:GLU83 4.2 7.9 1.0 CA A:ASN80 4.3 6.4 1.0 OE1 A:GLU83 4.4 7.1 1.0 OE1 A:GLN73 4.5 7.2 1.0 N A:LYS81 4.5 6.4 1.0 O A:HOH271 4.6 9.6 1.0 CA A:LYS81 4.6 7.1 1.0 CG A:ASN80 4.6 6.6 1.0 CD A:GLN73 4.8 6.5 1.0 OD1 A:ASN80 4.8 7.7 1.0

Calcium binding site 6 out of 6 in the The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Crystal Structure of Plant Specific Calcium Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca232 b:10.3 occ:1.00 OE1 A:GLN135 2.4 10.9 1.0 OD2 A:ASP92 2.4 10.3 1.0 O A:HOH381 2.4 17.6 1.0 O A:HOH346 2.4 16.0 1.0 O A:HOH347 2.4 16.4 1.0 OD1 A:ASP92 2.5 10.0 1.0 CG A:ASP92 2.9 7.9 1.0 CD A:GLN135 3.4 10.4 1.0 NE2 A:GLN135 3.7 11.1 1.0 O A:HOH385 3.9 14.7 1.0 O A:HOH359 4.1 13.7 1.0 CB A:ASP92 4.4 6.7 1.0 O A:HOH354 4.5 16.4 1.0 O A:HOH357 4.6 16.0 1.0 CG A:GLN135 4.8 10.1 1.0 NH1 A:ARG89 4.9 8.2 1.0

M.Akaboshi, H.Hashimoto, H.Ishida, S.Saijo, N.Koizumi, M.Sato, T.Shimizu. The Crystal Structure of Plant-Specific Calcium-Binding Protein ATCBL2 in Complex with the Regulatory Domain of ATCIPK14 J.Mol.Biol. V. 377 246 2008.
ISSN: ISSN 0022-2836
PubMed: 18237745
DOI: 10.1016/J.JMB.2008.01.006