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Chlorine in PDB 1k63: Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution

Enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution

All present enzymatic activity of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution:
3.8.1.5;

Protein crystallography data

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution, PDB code: 1k63 was solved by V.A.Streltsov, 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) 27.80 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.180, 68.951, 80.681, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 20

Other elements in 1k63:

The structure of Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution 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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution (pdb code 1k63). 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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution, PDB code: 1k63:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1k63

Go back to Chlorine Binding Sites List in 1k63
Chlorine binding site 1 out of 2 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution


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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:21.8
occ:0.40
 BR A:BR1001 0.4 19.8 0.6
NE1 A:TRP109 3.2 4.8 1.0
N A:PRO208 3.3 5.8 1.0
O A:BRP2001 3.3 54.3 0.5
CA A:PRO208 3.3 4.6 1.0
ND2 A:ASN38 3.4 4.6 1.0
C A:TRP207 3.5 7.7 1.0
CD A:PRO208 3.5 4.2 1.0
CB A:TRP207 3.7 5.3 1.0
O A:TRP207 3.7 3.6 1.0
C3 A:BRP2001 3.7 57.5 0.5
CB A:PRO208 3.7 3.6 1.0
CZ A:PHE169 3.8 6.2 1.0
CD1 A:TRP109 3.8 3.7 1.0
CD1 A:ILE211 3.9 4.1 1.0
O A:BRP2002 4.0 52.5 0.5
CE2 A:PHE169 4.0 8.2 1.0
CB A:ASN38 4.0 6.3 1.0
CG1 A:ILE211 4.2 1.9 1.0
CG A:ASN38 4.2 11.1 1.0
O A:HOH2003 4.2 30.1 1.0
CA A:TRP207 4.2 8.2 1.0
CG A:PRO208 4.3 5.8 1.0
CE2 A:PHE151 4.3 6.8 1.0
CE2 A:TRP109 4.5 5.0 1.0
C A:PRO208 4.7 6.3 1.0
CG A:TRP207 4.8 3.0 1.0
CE1 A:PHE169 4.8 6.3 1.0
C2 A:BRP2001 4.9 57.9 0.5

Chlorine binding site 2 out of 2 in 1k63

Go back to Chlorine Binding Sites List in 1k63
Chlorine binding site 2 out of 2 in the Complex of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution


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 with UT26 2-Bromo-2-Propene-1-Ol at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:23.7
occ:0.60
 BR A:BR1002 0.7 16.6 0.4
O A:HOH2340 2.6 24.3 1.0
N A:ALA218 3.1 8.5 1.0
CG2 A:THR216 3.2 15.8 1.0
CA A:PRO217 3.7 7.1 1.0
C A:PRO217 3.9 10.0 1.0
CB A:ALA218 3.9 12.4 1.0
CB A:THR216 4.1 14.3 1.0
CA A:THR216 4.1 8.6 1.0
CA A:ALA218 4.1 8.1 1.0
OG1 A:THR216 4.3 28.3 1.0
O A:GLY215 4.4 11.6 1.0
CB A:PRO217 4.6 8.8 1.0
N A:PRO217 4.7 7.2 1.0
C A:THR216 5.0 8.3 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 23:08:31 2024

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