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Chlorine in PDB 1k6e: Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A

Enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A

All present enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A:
3.8.1.5;

Protein crystallography data

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A, PDB code: 1k6e was solved by V.A.Streltsov, Z.Prokop, J.Damborsky, Y.Nagata, A.Oakley, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.69 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.410, 68.330, 80.980, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 20.1

Other elements in 1k6e:

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A also contains other interesting chemical elements:

Bromine (Br) 4 atoms
Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A (pdb code 1k6e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A, PDB code: 1k6e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1k6e

Go back to Chlorine Binding Sites List in 1k6e
Chlorine binding site 1 out of 2 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:46.3
occ:0.25
 BR A:BR1001 0.0 27.8 0.8
O1 A:PGO2001 3.2 13.8 0.5
NE1 A:TRP109 3.3 8.0 1.0
ND2 A:ASN38 3.4 6.7 1.0
C3 A:1BP2003 3.5 41.9 0.2
C1 A:PGO2001 3.5 28.0 0.5
N A:PRO208 3.5 5.9 1.0
O A:HOH2004 3.6 39.2 1.0
CA A:PRO208 3.6 11.6 1.0
CZ A:PHE169 3.6 11.9 1.0
O2 A:1BP2002 3.7 45.7 0.3
CD A:PRO208 3.8 5.4 1.0
CD1 A:TRP109 3.8 5.3 1.0
C A:TRP207 3.8 10.3 1.0
CD1 A:ILE211 3.9 8.1 1.0
CE2 A:PHE169 3.9 11.0 1.0
CB A:PRO208 3.9 7.9 1.0
CB A:TRP207 4.0 8.3 1.0
CB A:ASN38 4.0 6.1 1.0
O A:TRP207 4.1 6.0 1.0
CE2 A:PHE151 4.2 9.1 1.0
CG A:ASN38 4.2 12.8 1.0
CG1 A:ILE211 4.3 6.0 1.0
CA A:TRP207 4.6 9.8 1.0
CG A:PRO208 4.6 5.6 1.0
CE2 A:TRP109 4.6 7.1 1.0
C2 A:1BP2002 4.6 42.2 0.3
C2 A:1BP2003 4.7 38.8 0.2
CE1 A:PHE169 4.7 11.8 1.0
OD2 A:ASP108 4.8 8.9 1.0
OD1 A:ASP108 4.8 24.8 1.0
C3 A:1BP2002 4.9 43.4 0.3

Chlorine binding site 2 out of 2 in 1k6e

Go back to Chlorine Binding Sites List in 1k6e
Chlorine binding site 2 out of 2 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,2-Propanediol (Product of Dehalogenation of 1,2-Dibromopropane) at 1.85A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:44.8
occ:0.25
 BR A:BR1002 0.3 31.4 0.8
N A:ALA218 3.1 8.8 1.0
O A:HOH2435 3.3 30.5 1.0
O A:HOH2348 3.4 21.6 1.0
CG2 A:THR216 3.5 17.6 1.0
CA A:PRO217 3.7 9.7 1.0
CB A:ALA218 3.8 8.3 1.0
C A:PRO217 3.9 10.4 1.0
CA A:ALA218 4.1 7.8 1.0
CB A:PRO217 4.4 12.6 1.0
CB A:THR216 4.5 18.8 1.0
CA A:THR216 4.5 10.5 1.0
OG1 A:THR216 4.8 24.7 1.0
N A:PRO217 4.9 10.6 1.0
O A:GLY215 4.9 13.3 1.0

Reference:

V.A.Streltsov, Z.Prokop, J.Damborsky, Y.Nagata, A.Oakley, M.C.J.Wilce. Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26: X-Ray Crystallographic Studies of Dehalogenation of Brominated Substrates. Biochemistry V. 42 10104 2003.
ISSN: ISSN 0006-2960
PubMed: 12939138
DOI: 10.1021/BI027280A
Page generated: Fri Jul 19 23:08:37 2024

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