Calcium in PDB 4pig: Crystal Structure of the Ubiquitin K11S Mutant

The structure of Crystal Structure of the Ubiquitin K11S Mutant, PDB code: 4pig was solved by P.J.Loll, P.J.Xu, J.Schmidt, S.L.Melideo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.700, 61.820, 91.500, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 21.8

The structure of Crystal Structure of the Ubiquitin K11S Mutant also contains other interesting chemical elements:

Chlorine	(Cl)	8 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Crystal Structure of the Ubiquitin K11S Mutant (pdb code 4pig). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Ubiquitin K11S Mutant, PDB code: 4pig:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Ubiquitin K11S Mutant


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 the Ubiquitin K11S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:24.1 occ:1.00 O A:HOH206 2.5 13.3 1.0 O C:LEU73 4.5 11.8 1.0 O A:HOH213 4.7 15.9 1.0 OE2 A:GLU34 4.8 12.4 1.0 O A:HOH223 4.8 14.6 1.0 O A:THR12 4.9 7.5 1.0 CA C:ARG74 4.9 15.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Ubiquitin K11S Mutant


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 the Ubiquitin K11S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:30.4 occ:1.00 O B:HOH217 2.6 26.5 1.0 OD1 B:ASN60 2.6 19.7 1.0 O B:HOH212 2.8 18.4 1.0 CG B:ASN60 3.7 14.8 1.0 ND2 B:ASN60 4.1 23.3 1.0 O B:SER57 4.4 9.2 1.0 CB B:ASN60 5.0 12.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Ubiquitin K11S Mutant


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 the Ubiquitin K11S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:34.9 occ:1.00 OD1 D:ASP32 2.2 19.1 1.0 O D:HOH203 2.5 19.8 1.0 CG D:ASP32 3.4 18.5 1.0 OD2 D:ASP32 3.9 27.5 1.0 OE1 D:GLN31 4.4 17.4 1.0 O D:ALA28 4.5 9.5 1.0 CB D:ASP32 4.6 9.1 1.0 CA D:ASP32 4.6 16.4 1.0 N D:ASP32 4.8 12.3 1.0 CD D:GLN31 4.9 15.6 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Ubiquitin K11S Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Ubiquitin K11S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca102 b:36.9 occ:1.00 OD2 D:ASP52 2.5 20.0 1.0 O D:HOH256 2.6 24.2 1.0 OE1 D:GLU24 2.8 27.6 1.0 CG D:ASP52 3.4 20.0 1.0 CB D:ASP52 3.6 16.2 1.0 CD D:GLU24 4.0 23.7 1.0 NH2 D:ARG72 4.3 23.2 1.0 OD1 D:ASP39 4.3 18.3 1.0 OE2 D:GLU24 4.4 15.2 1.0 OD1 D:ASP52 4.5 13.4 1.0

P.J.Loll, P.Xu, J.T.Schmidt, S.L.Melideo. Enhancing Ubiquitin Crystallization Through Surface-Entropy Reduction. Acta Crystallogr.,Sect.F V. 70 1434 2014.
ISSN: ESSN 2053-230X
PubMed: 25286958
DOI: 10.1107/S2053230X14019244