Calcium in PDB 1k94: Crystal Structure of Des(1-52)Grancalcin with Bound Calcium

The structure of Crystal Structure of Des(1-52)Grancalcin with Bound Calcium, PDB code: 1k94 was solved by J.Jia, N.Borregaard, K.Lollike, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.120, 71.130, 77.570, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.9

The binding sites of Calcium atom in the Crystal Structure of Des(1-52)Grancalcin with Bound Calcium (pdb code 1k94). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Des(1-52)Grancalcin with Bound Calcium, PDB code: 1k94:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Des(1-52)Grancalcin with Bound Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Des(1-52)Grancalcin with Bound Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:12.3 occ:1.00 OD2 A:ASP132 2.4 13.7 1.0 OE1 A:GLU143 2.4 11.6 1.0 OD1 A:ASP134 2.4 17.1 1.0 O A:THR138 2.4 13.6 1.0 OG A:SER136 2.4 14.2 1.0 OE2 A:GLU140 2.4 13.8 1.0 OE2 A:GLU143 2.6 10.9 1.0 CD A:GLU143 2.8 11.2 1.0 CG A:ASP134 3.3 17.4 1.0 CD A:GLU140 3.5 13.9 1.0 CG A:ASP132 3.5 14.4 1.0 C A:THR138 3.6 14.3 1.0 CB A:SER136 3.6 14.8 1.0 OD2 A:ASP134 3.6 17.4 1.0 OE1 A:GLU140 4.0 14.2 1.0 N A:SER136 4.1 15.4 1.0 OG1 A:THR138 4.1 14.2 1.0 O A:HOH762 4.1 17.0 1.0 O A:HOH847 4.2 29.7 1.0 CA A:ASP132 4.2 15.1 1.0 OD1 A:ASP132 4.3 14.1 1.0 CG A:GLU143 4.3 11.2 1.0 N A:THR138 4.4 14.3 1.0 CA A:VAL139 4.4 13.9 1.0 CB A:ASP132 4.4 14.5 1.0 N A:GLU140 4.4 13.1 1.0 CA A:SER136 4.4 15.0 1.0 N A:VAL139 4.5 13.9 1.0 CA A:THR138 4.5 13.9 1.0 N A:ASP134 4.6 17.3 1.0 C A:ASP132 4.6 15.9 1.0 CB A:ASP134 4.7 17.1 1.0 CG A:GLU140 4.7 13.6 1.0 N A:GLY137 4.9 14.9 1.0 O A:HOH831 4.9 34.2 1.0 C A:VAL139 4.9 13.8 1.0 N A:GLY135 4.9 16.5 1.0 C A:SER136 4.9 15.0 1.0 N A:GLN133 4.9 16.8 1.0 CB A:THR138 5.0 14.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Des(1-52)Grancalcin with Bound Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Des(1-52)Grancalcin with Bound Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:11.0 occ:1.00 O A:ALA62 2.3 13.4 1.0 O A:GLU67 2.3 11.9 1.0 O A:HOH631 2.4 16.8 1.0 OE2 A:GLU72 2.4 11.0 1.0 O A:HOH621 2.4 13.5 1.0 OD1 A:ASP65 2.4 12.9 1.0 OE1 A:GLU72 2.5 11.4 1.0 CD A:GLU72 2.8 11.3 1.0 CG A:ASP65 3.4 12.9 1.0 C A:ALA62 3.4 13.6 1.0 C A:GLU67 3.6 12.3 1.0 OD2 A:ASP65 3.7 13.4 1.0 CA A:VAL68 4.3 11.7 1.0 N A:GLU67 4.3 12.2 1.0 CA A:ALA62 4.3 13.1 1.0 CG A:GLU72 4.3 11.4 1.0 N A:GLY63 4.4 13.7 1.0 CA A:GLY63 4.4 13.8 1.0 N A:VAL68 4.4 11.9 1.0 CA A:GLU67 4.5 12.5 1.0 O A:HOH777 4.6 27.2 1.0 O A:VAL61 4.7 12.5 1.0 N A:ASP69 4.7 12.1 1.0 CB A:ASP65 4.7 12.8 1.0 N A:ASP65 4.8 12.8 1.0 C A:GLY63 4.8 14.1 1.0 C A:VAL68 4.9 11.8 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Des(1-52)Grancalcin with Bound Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Des(1-52)Grancalcin with Bound Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca997 b:10.0 occ:1.00 OD2 B:ASP432 2.3 10.8 1.0 OE2 B:GLU440 2.3 14.5 1.0 O B:THR438 2.4 12.0 1.0 OE1 B:GLU443 2.4 11.6 1.0 OG B:SER436 2.4 11.7 1.0 OD1 B:ASP434 2.4 13.0 1.0 OE2 B:GLU443 2.6 12.2 1.0 CD B:GLU443 2.8 12.6 1.0 CG B:ASP434 3.4 13.4 1.0 CG B:ASP432 3.4 11.3 1.0 CD B:GLU440 3.4 13.9 1.0 C B:THR438 3.6 12.4 1.0 CB B:SER436 3.6 12.1 1.0 OD2 B:ASP434 3.8 14.3 1.0 OE1 B:GLU440 3.9 13.9 1.0 O B:HOH761 3.9 17.3 1.0 CA B:ASP432 4.1 11.4 1.0 N B:SER436 4.1 12.1 1.0 OG1 B:THR438 4.1 12.0 1.0 CB B:ASP432 4.2 11.3 1.0 OD1 B:ASP432 4.3 10.7 1.0 CG B:GLU443 4.3 12.7 1.0 N B:THR438 4.4 11.9 1.0 CA B:VAL439 4.4 12.6 1.0 CA B:SER436 4.4 12.0 1.0 N B:VAL439 4.4 12.4 1.0 N B:GLU440 4.4 12.7 1.0 CA B:THR438 4.5 11.9 1.0 C B:ASP432 4.5 11.9 1.0 O B:HOH755 4.5 23.8 1.0 N B:ASP434 4.6 12.8 1.0 CG B:GLU440 4.7 13.6 1.0 CB B:ASP434 4.7 13.1 1.0 C B:VAL439 4.8 12.7 1.0 N B:GLY435 4.9 12.4 1.0 N B:GLY437 4.9 11.9 1.0 C B:SER436 4.9 12.1 1.0 N B:GLN433 4.9 12.3 1.0 O B:ASP432 4.9 11.6 1.0 CB B:THR438 5.0 12.4 1.0 O B:HOH812 5.0 18.8 1.0

J.Jia, N.Borregaard, K.Lollike, M.Cygler. Structure of Ca(2+)-Loaded Human Grancalcin. Acta Crystallogr.,Sect.D V. 57 1843 2001.
ISSN: ISSN 0907-4449
PubMed: 11717497
DOI: 10.1107/S0907444901016511