Calcium in PDB 7cqv: Complex of TRP_CBS1 and CALMODULIN_NLOBE

The structure of Complex of TRP_CBS1 and CALMODULIN_NLOBE, PDB code: 7cqv was solved by Z.S.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 1.78
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	98.449, 98.449, 134.263, 90, 90, 120
R / Rfree (%)	20.5 / 23.4

The binding sites of Calcium atom in the Complex of TRP_CBS1 and CALMODULIN_NLOBE (pdb code 7cqv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Complex of TRP_CBS1 and CALMODULIN_NLOBE, PDB code: 7cqv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Complex of TRP_CBS1 and CALMODULIN_NLOBE


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of TRP_CBS1 and CALMODULIN_NLOBE within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca101 b:12.8 occ:1.00 OD1 E:ASP21 2.3 14.8 1.0 OD1 E:ASP23 2.4 16.6 1.0 O E:THR27 2.4 13.9 1.0 OD1 E:ASP25 2.4 14.7 1.0 OE2 E:GLU32 2.5 15.8 1.0 OE1 E:GLU32 2.6 13.7 1.0 CD E:GLU32 2.9 16.4 1.0 CG E:ASP25 3.4 17.0 1.0 CG E:ASP23 3.5 19.4 1.0 CG E:ASP21 3.5 16.7 1.0 C E:THR27 3.5 14.1 1.0 OG1 E:THR27 3.8 15.8 1.0 OD2 E:ASP25 4.0 15.5 1.0 OD2 E:ASP23 4.0 15.9 1.0 CA E:ASP21 4.1 17.0 1.0 N E:ASP25 4.1 15.9 1.0 N E:THR27 4.1 11.9 1.0 CB E:ASP21 4.3 14.9 1.0 N E:ASP23 4.3 17.6 1.0 CB E:ASP25 4.3 16.7 1.0 C E:ASP21 4.3 17.4 1.0 CA E:THR27 4.4 11.0 1.0 OD2 E:ASP21 4.4 16.0 1.0 CG E:GLU32 4.4 12.4 1.0 O E:HOH205 4.4 15.3 1.0 N E:LYS22 4.5 17.7 1.0 N E:ILE28 4.5 12.2 1.0 CB E:ASP23 4.6 21.5 1.0 N E:GLY24 4.6 17.7 1.0 CA E:ASP25 4.6 16.0 1.0 CA E:ILE28 4.6 13.3 1.0 CB E:THR27 4.7 14.4 1.0 N E:GLY26 4.8 15.9 1.0 O E:HOH229 4.8 18.6 1.0 CA E:ASP23 4.8 18.3 1.0 C E:ASP25 4.9 15.8 1.0 O E:ASP21 4.9 16.5 1.0 C E:ASP23 4.9 18.9 1.0 CG2 E:THR29 5.0 12.1 1.0

Calcium binding site 2 out of 4 in the Complex of TRP_CBS1 and CALMODULIN_NLOBE


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of TRP_CBS1 and CALMODULIN_NLOBE within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca102 b:14.1 occ:1.00 O E:HOH235 2.3 21.2 1.0 OD1 E:ASP57 2.3 15.5 1.0 OD1 E:ASP59 2.4 14.9 1.0 O E:THR63 2.4 13.3 1.0 OD1 E:ASN61 2.4 12.8 1.0 OE1 E:GLU68 2.4 16.9 1.0 OE2 E:GLU68 2.5 16.1 1.0 CD E:GLU68 2.8 18.4 1.0 CG E:ASP59 3.3 21.0 1.0 CG E:ASN61 3.3 13.2 1.0 CG E:ASP57 3.4 13.6 1.0 C E:THR63 3.6 13.1 1.0 OD2 E:ASP59 3.7 22.9 1.0 O E:HOH204 3.9 19.5 1.0 ND2 E:ASN61 4.0 11.9 1.0 N E:ASN61 4.2 13.7 1.0 CA E:ASP57 4.2 19.8 1.0 N E:THR63 4.2 11.1 1.0 OD2 E:ASP57 4.3 17.6 1.0 CB E:ASP57 4.3 16.9 1.0 CG E:GLU68 4.3 14.7 1.0 N E:ASP59 4.4 16.5 1.0 CB E:ASN61 4.4 13.3 1.0 N E:ILE64 4.4 9.5 1.0 CA E:ILE64 4.4 11.6 1.0 C E:ASP57 4.5 15.9 1.0 CA E:THR63 4.5 11.3 1.0 N E:ASP65 4.5 13.8 1.0 CB E:ASP59 4.6 16.7 1.0 N E:GLY60 4.6 17.9 1.0 N E:GLY62 4.6 11.8 1.0 N E:ALA58 4.6 19.2 1.0 CA E:ASN61 4.7 13.0 1.0 OG1 E:THR63 4.7 12.1 1.0 O E:HOH218 4.8 21.2 1.0 CA E:ASP59 4.8 17.3 1.0 OD1 E:ASP65 4.9 18.4 1.0 C E:ASP59 4.9 18.9 1.0 C E:ILE64 4.9 14.1 1.0 CG E:ASP65 4.9 19.6 1.0 C E:ASN61 5.0 13.2 1.0

Calcium binding site 3 out of 4 in the Complex of TRP_CBS1 and CALMODULIN_NLOBE


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Complex of TRP_CBS1 and CALMODULIN_NLOBE within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:21.0 occ:1.00 O A:HOH207 2.3 34.0 1.0 OD1 A:ASP57 2.3 26.3 1.0 OD1 A:ASN61 2.4 26.5 1.0 O A:THR63 2.4 25.1 1.0 OD1 A:ASP59 2.4 24.2 1.0 OE1 A:GLU68 2.5 21.0 1.0 OE2 A:GLU68 2.5 23.8 1.0 CD A:GLU68 2.8 26.8 1.0 CG A:ASN61 3.3 25.2 1.0 CG A:ASP59 3.4 27.6 1.0 CG A:ASP57 3.4 22.1 1.0 C A:THR63 3.5 28.6 1.0 OD2 A:ASP59 3.8 30.4 1.0 ND2 A:ASN61 3.8 30.3 1.0 OD2 A:ASP57 4.2 27.6 1.0 N A:ASN61 4.3 28.1 1.0 CA A:ASP57 4.3 23.6 1.0 CG A:GLU68 4.3 19.8 1.0 N A:THR63 4.3 26.1 1.0 CB A:ASP57 4.3 27.9 1.0 N A:ASP59 4.3 22.4 1.0 N A:ILE64 4.4 22.5 1.0 CA A:ILE64 4.4 21.4 1.0 CB A:ASN61 4.4 31.6 1.0 N A:ASP65 4.5 22.8 1.0 CA A:THR63 4.5 27.9 1.0 OG1 A:THR63 4.5 26.2 1.0 C A:ASP57 4.5 26.3 1.0 N A:ALA58 4.6 23.9 1.0 CB A:ASP59 4.6 22.9 1.0 N A:GLY60 4.7 26.2 1.0 CA A:ASN61 4.8 28.2 1.0 N A:GLY62 4.8 28.5 1.0 CA A:ASP59 4.8 22.8 1.0 OD2 A:ASP65 4.8 26.1 1.0 C A:ILE64 4.9 25.4 1.0 O A:HOH208 4.9 25.2 1.0 C A:ASP59 4.9 28.9 1.0 C A:ASN61 5.0 30.6 1.0 CG A:ASP65 5.0 25.0 1.0

Calcium binding site 4 out of 4 in the Complex of TRP_CBS1 and CALMODULIN_NLOBE


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Complex of TRP_CBS1 and CALMODULIN_NLOBE within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:23.8 occ:1.00 OD1 A:ASP21 2.2 27.8 1.0 O A:THR27 2.3 24.4 1.0 O A:HOH214 2.3 32.7 1.0 OD1 A:ASP25 2.4 30.0 1.0 OE1 A:GLU32 2.4 26.2 1.0 OD1 A:ASP23 2.5 27.6 1.0 OE2 A:GLU32 2.6 24.9 1.0 CD A:GLU32 2.9 29.3 1.0 CG A:ASP25 3.2 30.0 1.0 CG A:ASP21 3.4 24.0 1.0 CG A:ASP23 3.4 33.3 1.0 C A:THR27 3.5 30.1 1.0 OD2 A:ASP25 3.7 38.3 1.0 OD2 A:ASP23 3.7 31.5 1.0 OG1 A:THR27 3.9 34.4 1.0 CA A:ASP21 4.0 22.4 1.0 CB A:ASP21 4.0 21.2 1.0 N A:THR27 4.1 23.7 1.0 CA A:THR27 4.3 25.5 1.0 OD2 A:ASP21 4.3 28.2 1.0 N A:ASP25 4.3 28.2 1.0 CG A:GLU32 4.3 25.0 1.0 CB A:ASP25 4.4 30.0 1.0 N A:ILE28 4.5 21.9 1.0 C A:ASP21 4.5 23.7 1.0 O A:HOH202 4.6 45.7 1.0 CA A:ILE28 4.6 25.2 1.0 N A:ASP23 4.7 24.4 1.0 O A:HOH201 4.7 28.1 1.0 N A:GLY24 4.7 27.0 1.0 CA A:ASP25 4.8 29.8 1.0 CB A:THR27 4.8 29.8 1.0 CB A:ASP23 4.8 23.2 1.0 N A:LYS22 4.8 21.9 1.0 N A:GLY26 4.8 26.1 1.0 O A:HOH215 4.8 30.5 1.0 C A:ASP25 4.9 31.2 1.0

W.Chen, Z.Shen, S.Asteriti, Z.Chen, F.Ye, Z.Sun, J.Wan, C.Montell, R.C.Hardie, W.Liu, M.Zhang. Calmodulin Binds to Drosophila Trp with An Unexpected Mode. Structure V. 29 330 2021.
ISSN: ISSN 0969-2126
PubMed: 33326749
DOI: 10.1016/J.STR.2020.11.016