Chlorine in PDB 1mj5: Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution

All present enzymatic activity of Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution:
3.8.1.5;

The structure of Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution, PDB code: 1mj5 was solved by A.J.Oakley, J.Damborsky, M.C.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.76 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.390, 68.380, 80.720, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 14.1

The structure of Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution (pdb code 1mj5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution, PDB code: 1mj5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2004 b:5.7 occ:1.00 HE1 A:TRP109 2.5 5.6 1.0 HD22 A:ASN38 2.6 4.9 1.0 HA A:PRO208 3.0 4.8 1.0 HD11 A:ILE211 3.0 8.2 1.0 HD3 A:PRO208 3.0 5.0 1.0 HB3 A:TRP207 3.1 4.1 1.0 HZ A:PHE169 3.1 7.2 1.0 O A:HOH3426 3.2 30.9 1.0 HB3 A:ASN38 3.2 4.5 1.0 NE1 A:TRP109 3.3 4.7 1.0 HE2 A:PHE151 3.3 7.0 1.0 ND2 A:ASN38 3.4 4.1 1.0 HB3 A:PRO208 3.4 5.0 1.0 O A:HOH3249 3.4 16.3 0.5 N A:PRO208 3.5 3.8 1.0 HD1 A:TRP109 3.5 4.7 1.0 CA A:PRO208 3.6 4.0 1.0 HE2 A:PHE169 3.6 7.5 1.0 CD A:PRO208 3.7 4.2 1.0 CZ A:PHE169 3.7 6.0 1.0 C A:TRP207 3.8 3.7 1.0 CD1 A:TRP109 3.8 3.9 1.0 HD21 A:ASN38 3.9 4.9 1.0 CB A:PRO208 3.9 4.2 1.0 CB A:TRP207 3.9 3.5 1.0 CB A:ASN38 3.9 3.7 1.0 CD1 A:ILE211 3.9 5.5 1.0 CE2 A:PHE169 3.9 6.2 1.0 HB2 A:ASN38 3.9 4.5 1.0 HB2 A:TRP207 4.0 4.1 1.0 HG13 A:ILE211 4.1 5.6 1.0 O A:TRP207 4.1 4.1 1.0 HG12 A:ILE211 4.1 5.6 1.0 CG A:ASN38 4.2 3.3 1.0 CE2 A:PHE151 4.2 5.8 1.0 CG1 A:ILE211 4.3 4.7 1.0 CG A:PRO208 4.4 4.5 1.0 HD13 A:ILE211 4.4 8.2 1.0 HD2 A:PRO208 4.5 5.0 1.0 HD12 A:ILE211 4.5 8.2 1.0 CA A:TRP207 4.5 3.5 1.0 CE2 A:TRP109 4.5 4.3 1.0 HG3 A:PRO208 4.6 5.4 1.0 CE1 A:PHE169 4.7 7.2 1.0 HB2 A:PRO208 4.8 5.0 1.0 OD2 A:ASP108 4.9 6.1 0.5 OD2 A:ASP108 4.9 5.0 0.5 HD2 A:PHE151 4.9 6.9 1.0 HZ A:PHE151 4.9 7.5 1.0 O A:HOH3510 4.9 30.8 0.5 HZ2 A:TRP109 4.9 5.9 1.0 HE1 A:PHE169 5.0 8.7 1.0 C A:PRO208 5.0 4.3 1.0 OD1 A:ASP108 5.0 14.6 0.5

Chlorine binding site 2 out of 2 in the Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Linb (Haloalkane Dehalogenase) From Sphingomonas Paucimobilis UT26 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2005 b:8.6 occ:1.00 H A:ALA218 2.4 7.6 1.0 HA A:PRO217 2.9 6.8 1.0 O A:HOH3436 2.9 16.6 0.5 O A:HOH3216 3.1 19.7 1.0 N A:ALA218 3.2 6.3 1.0 OG1 A:THR216 3.3 10.0 0.5 O A:HOH3151 3.3 13.9 1.0 HG22 A:THR216 3.3 16.3 0.5 HB1 A:ALA218 3.4 12.8 1.0 HG1 A:THR216 3.5 15.0 0.5 HB3 A:ALA218 3.7 12.8 1.0 CA A:PRO217 3.7 5.7 1.0 HA A:THR216 3.7 7.6 0.5 HA A:THR216 3.8 7.9 0.5 CB A:ALA218 3.9 8.5 1.0 HB A:THR216 4.0 10.1 0.5 C A:PRO217 4.0 4.9 1.0 CB A:THR216 4.1 8.4 0.5 CA A:ALA218 4.2 6.9 1.0 CG2 A:THR216 4.3 10.8 0.5 HB3 A:PRO217 4.3 7.5 1.0 CA A:THR216 4.4 6.5 0.5 CB A:PRO217 4.4 6.3 1.0 HB2 A:PRO217 4.5 7.5 1.0 CA A:THR216 4.6 6.3 0.5 H A:ASP219 4.7 8.5 1.0 HA A:ALA218 4.7 8.3 1.0 CB A:THR216 4.8 6.5 0.5 OG1 A:THR216 4.8 8.3 0.5 HG23 A:THR216 4.8 16.3 0.5 O A:HOH3317 4.8 25.1 1.0 HG21 A:THR216 4.8 16.3 0.5 HB2 A:ALA218 4.8 12.8 1.0 O A:GLY215 4.9 8.5 1.0 N A:PRO217 4.9 5.8 1.0

A.J.Oakley, M.Klvana, M.Otyepka, Y.Nagata, M.C.Wilce, J.Damborsky. Crystal Structure of Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 0.95 A Resolution: Dynamics of Catalytic Residues. Biochemistry V. 43 870 2004.
ISSN: ISSN 0006-2960
PubMed: 14744129
DOI: 10.1021/BI034748G