Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Linb Complexed with Butan-1-Ol (pdb code 1g4h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Linb Complexed with Butan-1-Ol, PDB code: 1g4h:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Linb Complexed with Butan-1-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:30.5 occ:1.00 O A:HOH732 2.9 45.5 1.0 NE1 A:TRP109 3.3 28.5 1.0 N A:PRO208 3.4 31.1 1.0 CA A:PRO208 3.5 31.5 1.0 CZ A:PHE169 3.6 29.7 1.0 ND2 A:ASN38 3.6 28.8 1.0 CD A:PRO208 3.7 31.1 1.0 CB A:PRO208 3.8 31.5 1.0 C A:TRP207 3.8 31.0 1.0 CD1 A:ILE211 3.8 32.5 1.0 CD1 A:TRP109 3.8 30.8 1.0 CE2 A:PHE169 3.8 29.8 1.0 CB A:TRP207 4.0 30.3 1.0 O A:TRP207 4.1 30.1 1.0 CB A:ASN38 4.1 29.2 1.0 CE2 A:PHE151 4.2 32.1 1.0 CG1 A:ILE211 4.2 32.0 1.0 CG A:ASN38 4.4 29.5 1.0 CG A:PRO208 4.4 31.5 1.0 OH A:1BO501 4.4 40.2 0.5 CA A:TRP207 4.5 30.7 1.0 CE2 A:TRP109 4.6 29.6 1.0 OH A:1BO502 4.6 40.7 0.5 CE1 A:PHE169 4.6 29.6 1.0 OD2 A:ASP108 4.8 29.1 1.0 C A:PRO208 4.9 31.8 1.0 OD1 A:ASP108 4.9 30.9 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