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Chlorine in PDB 4e46: Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol

Enzymatic activity of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol

All present enzymatic activity of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol:
3.8.1.5;

Protein crystallography data

The structure of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol, PDB code: 4e46 was solved by A.Stsiapanava, R.Chaloupkova, J.Damborsky, I.Kuta Smatanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.26
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 42.646, 44.480, 46.334, 115.39, 98.05, 109.40
R / Rfree (%) 11.3 / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol (pdb code 4e46). 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 Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol, PDB code: 4e46:

Chlorine binding site 1 out of 1 in 4e46

Go back to Chlorine Binding Sites List in 4e46
Chlorine binding site 1 out of 1 in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Dhaa in Complex with 2-Propanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:8.3
occ:1.00
 O2 A:IPA1001 3.0 11.9 1.0
NE1 A:TRP107 3.3 4.9 1.0
ND2 A:ASN41 3.3 5.3 1.0
N A:PRO206 3.4 4.3 1.0
C2 A:IPA1001 3.6 10.2 1.0
CA A:PRO206 3.6 4.8 1.0
CD A:PRO206 3.7 5.4 1.0
C A:PHE205 3.7 4.5 1.0
CZ A:PHE168 3.8 6.2 1.0
CD1 A:TRP107 3.8 4.4 1.0
CB A:PHE205 3.8 4.3 1.0
CD1 A:LEU209 3.9 6.9 1.0
CB A:PRO206 3.9 5.7 1.0
CB A:ASN41 3.9 4.4 1.0
C1 A:IPA1001 4.0 12.8 1.0
O A:PHE205 4.0 5.4 1.0
CE2 A:PHE168 4.1 6.7 1.0
CG A:LEU209 4.1 5.7 1.0
CG A:ASN41 4.1 5.3 1.0
CG A:PRO206 4.4 5.5 1.0
CD2 A:LEU209 4.4 7.0 1.0
CA A:PHE205 4.4 4.9 1.0
CE2 A:PHE149 4.4 7.0 1.0
CE2 A:TRP107 4.6 4.5 1.0
OD2 A:ASP106 4.7 6.3 1.0
CE1 A:PHE168 4.8 6.1 1.0
CG A:PHE205 4.9 5.3 1.0
OD1 A:ASP106 5.0 9.1 1.0
C A:PRO206 5.0 5.6 1.0

Reference:

V.Stepankova, M.Khabiri, J.Brezovsky, A.Pavelka, J.Sykora, M.Amaro, B.Minofar, Z.Prokop, M.Hof, R.Ettrich, R.Chaloupkova, J.Damborsky. Expansion of Access Tunnels and Active-Site Cavities Influence Activity of Haloalkane Dehalogenases in Organic Cosolvents. Chembiochem V. 14 890 2013.
ISSN: ISSN 1439-4227
PubMed: 23564727
DOI: 10.1002/CBIC.201200733
Page generated: Fri Jul 11 14:37:49 2025

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