Calcium in PDB 3qrx: Chlamydomonas Reinhardtii Centrin Bound to Melittin

The structure of Chlamydomonas Reinhardtii Centrin Bound to Melittin, PDB code: 3qrx was solved by E.R.Schreiter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.104, 114.426, 34.842, 90.00, 90.00, 90.00
R / Rfree (%)	29.1 / 34.1

The binding sites of Calcium atom in the Chlamydomonas Reinhardtii Centrin Bound to Melittin (pdb code 3qrx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Chlamydomonas Reinhardtii Centrin Bound to Melittin, PDB code: 3qrx:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Chlamydomonas Reinhardtii Centrin Bound to Melittin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Chlamydomonas Reinhardtii Centrin Bound to Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca170 b:32.1 occ:1.00 OE1 A:GLU49 2.2 24.5 1.0 OD2 A:ASP38 2.3 30.0 1.0 OG A:SER42 2.3 32.4 1.0 OE2 A:GLU49 2.4 30.9 1.0 O A:THR44 2.4 29.1 1.0 OD2 A:ASP40 2.5 46.2 1.0 CD A:GLU49 2.6 35.4 1.0 CG A:ASP40 3.3 42.3 1.0 OD1 A:ASP40 3.4 44.9 1.0 CG A:ASP38 3.5 34.4 1.0 C A:THR44 3.6 31.6 1.0 CB A:SER42 3.7 32.0 1.0 CA A:ASP38 4.1 35.6 1.0 N A:SER42 4.1 31.4 1.0 CG A:GLU49 4.2 36.5 1.0 CA A:ILE45 4.3 29.3 1.0 CB A:ASP38 4.3 35.2 1.0 N A:ASP46 4.4 33.0 1.0 OD1 A:ASP38 4.4 28.8 1.0 N A:ILE45 4.4 30.2 1.0 C A:ASP38 4.4 36.3 1.0 CA A:SER42 4.5 32.0 1.0 OD2 A:ASP46 4.5 42.2 1.0 N A:ASP40 4.5 39.5 1.0 N A:THR44 4.6 32.3 1.0 N A:THR39 4.6 37.3 1.0 CB A:ASP40 4.6 39.7 1.0 CA A:THR44 4.7 32.0 1.0 OG1 A:THR44 4.7 36.8 1.0 CG A:ASP46 4.7 37.8 1.0 C A:ILE45 4.8 31.2 1.0 O A:HOH186 4.9 40.9 1.0 N A:GLY41 4.9 37.1 1.0 CA A:ASP40 5.0 39.3 1.0

Calcium binding site 2 out of 4 in the Chlamydomonas Reinhardtii Centrin Bound to Melittin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Chlamydomonas Reinhardtii Centrin Bound to Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca171 b:28.3 occ:1.00 OD1 A:ASP74 2.2 30.9 1.0 O A:HOH181 2.2 37.3 1.0 OD1 A:ASP76 2.3 32.0 1.0 O A:THR80 2.3 29.8 1.0 OG A:SER78 2.4 31.5 1.0 OE2 A:GLU85 2.4 27.2 1.0 OE1 A:GLU85 2.6 30.5 1.0 CD A:GLU85 2.9 28.2 1.0 CG A:ASP76 3.3 35.0 1.0 CG A:ASP74 3.4 32.9 1.0 C A:THR80 3.6 31.1 1.0 CB A:SER78 3.6 35.8 1.0 OD2 A:ASP76 3.7 37.6 1.0 N A:SER78 4.1 38.5 1.0 OD2 A:ASP74 4.2 34.9 1.0 N A:THR80 4.3 33.5 1.0 OG1 A:THR80 4.3 30.1 1.0 N A:ASP76 4.3 33.2 1.0 CA A:ASP74 4.3 31.5 1.0 CA A:SER78 4.4 36.2 1.0 CB A:ASP74 4.4 31.8 1.0 CG A:GLU85 4.4 29.3 1.0 N A:ILE81 4.4 29.5 1.0 N A:LYS75 4.4 31.3 1.0 N A:ASP82 4.5 26.8 1.0 CA A:ILE81 4.5 28.1 1.0 CA A:THR80 4.5 32.1 1.0 CB A:ASP76 4.6 33.4 1.0 O A:HOH188 4.6 33.6 1.0 CA A:ASP76 4.8 34.1 1.0 N A:GLY79 4.8 36.0 1.0 OD2 A:ASP82 4.9 37.4 1.0 CG A:ASP82 4.9 32.5 1.0 C A:SER78 4.9 36.1 1.0 C A:ILE81 4.9 27.5 1.0 C A:ASP74 4.9 30.8 1.0 C A:ASP76 5.0 35.6 1.0 O A:HOH183 5.0 27.9 1.0

Calcium binding site 3 out of 4 in the Chlamydomonas Reinhardtii Centrin Bound to Melittin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Chlamydomonas Reinhardtii Centrin Bound to Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca172 b:35.6 occ:1.00 OD2 A:ASP122 2.1 32.9 1.0 OG A:SER115 2.2 51.1 1.0 OD1 A:ASP113 2.2 47.4 1.0 OD2 A:ASP111 2.3 42.3 1.0 O A:THR117 2.3 41.3 1.0 O A:HOH198 2.4 56.0 1.0 OD1 A:ASP122 2.7 28.4 1.0 CG A:ASP122 2.7 31.3 1.0 CG A:ASP113 3.3 49.0 1.0 CB A:SER115 3.4 52.0 1.0 CG A:ASP111 3.5 42.9 1.0 C A:THR117 3.5 40.9 1.0 OD2 A:ASP113 3.7 53.4 1.0 N A:SER115 3.9 51.0 1.0 OG1 A:THR119 4.1 35.6 1.0 OD1 A:ASP111 4.2 44.2 1.0 CA A:SER115 4.2 51.2 1.0 CA A:ILE118 4.2 38.1 1.0 CB A:ASP122 4.2 33.9 1.0 O A:HOH199 4.3 40.6 1.0 N A:ILE118 4.3 38.1 1.0 CA A:ASP111 4.3 43.4 1.0 N A:THR119 4.3 38.5 1.0 N A:THR117 4.3 44.5 1.0 N A:ASP113 4.5 47.7 1.0 CB A:ASP111 4.5 42.3 1.0 C A:ASP111 4.5 43.9 1.0 CB A:ASP113 4.5 49.3 1.0 CA A:THR117 4.6 42.5 1.0 N A:ASN114 4.6 50.4 1.0 CG2 A:THR119 4.7 37.5 1.0 N A:ASP112 4.7 44.8 1.0 N A:GLY116 4.7 49.5 1.0 C A:ILE118 4.7 39.4 1.0 C A:ASP113 4.8 49.7 1.0 OG1 A:THR117 4.8 44.0 1.0 C A:SER115 4.8 50.9 1.0 CA A:ASP113 4.9 48.6 1.0 CB A:THR119 4.9 37.0 1.0 O A:ASP111 5.0 44.2 1.0

Calcium binding site 4 out of 4 in the Chlamydomonas Reinhardtii Centrin Bound to Melittin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Chlamydomonas Reinhardtii Centrin Bound to Melittin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca173 b:52.3 occ:1.00 OE1 A:GLU158 2.4 54.0 1.0 OD2 A:ASP151 2.4 53.1 1.0 O A:GLU153 2.4 52.5 1.0 OD1 A:ASP147 2.5 49.4 1.0 OD1 A:ASN149 2.5 60.7 1.0 OE2 A:GLU158 2.5 51.5 1.0 CD A:GLU158 2.8 51.9 1.0 C A:GLU153 3.3 51.5 1.0 CG A:ASP151 3.4 57.8 1.0 CG A:ASN149 3.4 59.2 1.0 CG A:ASP147 3.7 51.0 1.0 OD1 A:ASP151 3.7 56.1 1.0 ND2 A:ASN149 3.8 57.4 1.0 N A:GLU153 4.1 54.4 1.0 CA A:GLU153 4.1 53.3 1.0 N A:ILE154 4.2 49.2 1.0 CB A:GLU153 4.3 53.9 1.0 N A:ASP155 4.3 44.9 1.0 CG A:GLU158 4.3 49.9 1.0 CA A:ILE154 4.4 46.5 1.0 N A:ASN149 4.4 57.5 1.0 OD2 A:ASP147 4.4 53.1 1.0 N A:ARG148 4.5 54.3 1.0 CA A:ASP147 4.5 52.1 1.0 CB A:ASP147 4.6 51.2 1.0 CB A:ASP151 4.7 58.4 1.0 N A:ASP151 4.7 59.2 1.0 CB A:ASN149 4.7 59.0 1.0 OD1 A:ASP155 4.8 51.7 1.0 C A:ILE154 4.8 45.7 1.0 CG A:ASP155 4.8 47.8 1.0 CB A:ASP155 4.9 45.3 1.0

V.Sosa Ldel, E.Alfaro, J.Santiago, D.Narvaez, M.C.Rosado, A.Rodriguez, A.M.Gomez, E.R.Schreiter, B.Pastrana-Rios. The Structure, Molecular Dynamics, and Energetics of Centrin-Melittin Complex. Proteins V. 79 3132 2011.
ISSN: ISSN 0887-3585
PubMed: 21989934
DOI: 10.1002/PROT.23142