Calcium in PDB 1g4h: Linb Complexed with Butan-1-Ol

The structure of Linb Complexed with Butan-1-Ol, PDB code: 1g4h 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)	17.45 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.800, 72.040, 73.340, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 20.1

The structure of Linb Complexed with Butan-1-Ol also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Linb Complexed with Butan-1-Ol (pdb code 1g4h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Linb Complexed with Butan-1-Ol, PDB code: 1g4h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Linb Complexed with Butan-1-Ol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Linb Complexed with Butan-1-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:30.5 occ:0.50 O A:HOH727 2.4 38.6 1.0 O A:HOH684 2.5 28.8 1.0 O A:HOH803 2.5 31.5 1.0 O A:HOH673 2.6 30.0 1.0 OD1 A:ASP30 4.2 31.8 1.0 OD1 A:ASP100 4.4 31.2 1.0 O A:HOH752 4.4 41.0 1.0 O A:HOH828 4.5 53.3 1.0 OD2 A:ASP30 4.5 31.8 1.0 CG A:ASP30 4.8 31.8 1.0 CG A:ARG101 5.0 31.2 1.0 O A:HOH710 5.0 43.9 1.0

Calcium binding site 2 out of 2 in the Linb Complexed with Butan-1-Ol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Linb Complexed with Butan-1-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:30.6 occ:1.00 O A:HOH686 2.3 31.2 1.0 O A:HOH804 2.3 32.1 1.0 O A:ILE178 2.4 32.3 1.0 O A:PRO175 2.4 31.7 1.0 C A:PRO175 3.5 31.9 1.0 C A:ILE178 3.6 32.6 1.0 N A:ILE178 4.2 31.8 1.0 N A:GLY176 4.3 31.8 1.0 CA A:GLY176 4.3 32.0 1.0 CA A:ILE178 4.4 32.1 1.0 CA A:PRO175 4.4 31.9 1.0 C A:GLY176 4.5 31.9 1.0 O A:ARG180 4.5 33.9 1.0 CB A:ILE178 4.6 32.0 1.0 N A:LEU179 4.6 32.7 1.0 O A:LEU179 4.6 34.2 1.0 C A:LEU179 4.6 33.6 1.0 CA A:LEU179 4.7 33.6 1.0 O A:GLY176 4.7 31.8 1.0 CB A:PRO175 4.8 32.3 1.0 N A:LEU177 5.0 31.6 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