Calcium in PDB 1g5f: Structure of Linb Complexed with 1,2-Dichloroethane

The structure of Structure of Linb Complexed with 1,2-Dichloroethane, PDB code: 1g5f was solved by A.J.Oakley, Z.Prokop, M.Bohac, J.Kmunicek, T.Jedlicka, M.Monincova, I.Kuta-Smatanova, Y.Nagata, J.Damborsky, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.54 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.860, 71.890, 73.290, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.8

The structure of Structure of Linb Complexed with 1,2-Dichloroethane also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Calcium atom in the Structure of Linb Complexed with 1,2-Dichloroethane (pdb code 1g5f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Linb Complexed with 1,2-Dichloroethane, PDB code: 1g5f:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Linb Complexed with 1,2-Dichloroethane


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Linb Complexed with 1,2-Dichloroethane within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:20.8 occ:1.00 O A:HOH683 2.2 17.5 1.0 OE1 A:GLN152 2.3 11.5 1.0 O A:HOH870 2.5 39.8 1.0 O A:HOH788 2.5 28.9 1.0 OD1 A:ASP149 3.5 45.9 1.0 CD A:GLN152 3.5 11.8 1.0 CB A:GLN152 4.2 9.8 1.0 NE2 A:GLN152 4.4 9.0 1.0 CG A:GLN152 4.4 10.0 1.0 CG A:ASP149 4.6 34.4 1.0 CA A:ASP149 4.7 13.3 1.0 CB A:ASP149 5.0 17.8 1.0

Calcium binding site 2 out of 3 in the Structure of Linb Complexed with 1,2-Dichloroethane


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Linb Complexed with 1,2-Dichloroethane within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:23.0 occ:0.50 O A:HOH665 2.5 15.6 1.0 O A:HOH838 2.5 8.4 1.0 O A:HOH709 2.6 22.6 1.0 O A:HOH638 2.6 16.2 1.0 OD1 A:ASP30 4.2 7.3 1.0 O A:HOH741 4.3 22.1 1.0 OD1 A:ASP100 4.4 7.0 1.0 OD2 A:ASP30 4.5 8.2 1.0 CG A:ASP30 4.8 7.8 1.0

Calcium binding site 3 out of 3 in the Structure of Linb Complexed with 1,2-Dichloroethane


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Linb Complexed with 1,2-Dichloroethane within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:6.9 occ:1.00 O A:PRO175 2.3 8.3 1.0 O A:ILE178 2.4 8.2 1.0 O A:HOH631 2.4 6.8 1.0 C A:PRO175 3.4 8.1 1.0 C A:ILE178 3.6 9.4 1.0 N A:ILE178 4.2 8.7 1.0 CA A:GLY176 4.3 9.5 1.0 N A:GLY176 4.3 8.5 1.0 CA A:PRO175 4.4 9.2 1.0 CA A:ILE178 4.4 8.4 1.0 C A:GLY176 4.4 10.6 1.0 O A:GLY176 4.5 11.3 1.0 CB A:ILE178 4.5 8.5 1.0 N A:LEU179 4.6 9.5 1.0 O A:ARG180 4.6 12.5 1.0 O A:LEU179 4.6 13.8 1.0 C A:LEU179 4.6 12.6 1.0 CA A:LEU179 4.7 11.0 1.0 CB A:PRO175 4.8 8.6 1.0 N A:LEU177 4.9 10.2 1.0

A.J.Oakley, Z.Prokop, M.Bohac, J.Kmunicek, T.Jedlicka, M.Monincova, I.Kuta-Smatanova, Y.Nagata, J.Damborsky, M.C.Wilce. Exploring the Structure and Activity of Haloalkane Dehalogenase From Sphingomonas Paucimobilis UT26: Evidence For Product- and Water-Mediated Inhibition. Biochemistry V. 41 4847 2002.
ISSN: ISSN 0006-2960
PubMed: 11939779
DOI: 10.1021/BI015734I