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Chlorine in PDB 2bfn: The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.

Enzymatic activity of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.

All present enzymatic activity of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.:
3.8.1.5;

Protein crystallography data

The structure of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane., PDB code: 2bfn was solved by P.Banas, M.Otyepka, P.Jerabek, J.Vevodova, M.Bohac, J.Damborsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.55 / 1.6
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.571, 72.142, 73.311, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 17.1

Other elements in 2bfn:

The structure of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane. also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane. (pdb code 2bfn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane., PDB code: 2bfn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2bfn

Go back to Chlorine Binding Sites List in 2bfn
Chlorine binding site 1 out of 3 in the The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1297

b:62.9
occ:1.00
CL5 A:D2P1297 0.0 62.9 1.0
C4 A:D2P1297 1.7 62.5 1.0
C3 A:D2P1297 2.6 62.5 1.0
CB A:ALA247 3.4 7.1 1.0
CG A:PRO144 3.6 13.8 1.0
CL1 A:D2P1297 3.7 63.7 0.9
C2 A:D2P1297 3.7 62.0 1.0
N A:LEU248 3.8 7.1 1.0
CB A:LEU248 4.0 8.7 1.0
ND1 A:HIS272 4.1 6.3 1.0
C A:ALA247 4.2 7.8 1.0
CA A:LEU248 4.2 7.5 1.0
CD1 A:LEU177 4.2 8.2 1.0
CG A:HIS272 4.2 5.1 1.0
CB A:HIS272 4.3 4.8 1.0
O A:HOH2179 4.4 20.4 1.0
CD A:PRO144 4.4 13.0 1.0
CA A:ALA247 4.4 6.8 1.0
OE1 A:GLU132 4.5 4.4 1.0
CB A:PRO144 4.7 13.8 1.0
CE1 A:HIS272 4.7 5.7 1.0
O1 A:D2P1297 4.8 61.9 1.0
CZ A:PHE143 4.8 10.2 1.0
O A:ALA247 4.8 9.6 1.0
CD2 A:LEU177 5.0 10.6 1.0

Chlorine binding site 2 out of 3 in 2bfn

Go back to Chlorine Binding Sites List in 2bfn
Chlorine binding site 2 out of 3 in the The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1297

b:63.7
occ:0.90
CL1 A:D2P1297 0.0 63.7 0.9
C3 A:D2P1297 1.7 62.5 1.0
C4 A:D2P1297 2.6 62.5 1.0
C2 A:D2P1297 2.6 62.0 1.0
O A:HOH2152 2.7 21.4 1.0
O1 A:D2P1297 3.0 61.9 1.0
OD1 A:ASP108 3.6 10.7 1.0
O A:HOH2337 3.7 19.7 1.0
CL5 A:D2P1297 3.7 62.9 1.0
CE2 A:PHE151 4.1 6.1 1.0
CZ A:PHE151 4.2 6.5 1.0
CE1 A:HIS272 4.4 5.7 1.0
CD2 A:LEU248 4.4 10.9 1.0
CL A:CL1298 4.5 16.9 0.7
NE2 A:HIS272 4.5 6.3 1.0
CZ A:PHE143 4.6 10.2 1.0
CE1 A:PHE143 4.6 9.6 1.0
CD1 A:ILE211 4.8 8.6 1.0
CG A:ASP108 4.8 8.5 1.0
ND1 A:HIS272 4.8 6.3 1.0
CD1 A:LEU248 4.8 13.2 1.0
CB A:LEU248 5.0 8.7 1.0
CG A:LEU248 5.0 9.6 1.0

Chlorine binding site 3 out of 3 in 2bfn

Go back to Chlorine Binding Sites List in 2bfn
Chlorine binding site 3 out of 3 in the The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Complex of the Haloalkane Dehalogenase Linb with the Product of Dehalogenation Reaction 1,2-Dichloropropane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1298

b:16.9
occ:0.70
O A:HOH2337 2.7 19.7 1.0
O A:HOH2152 3.2 21.4 1.0
NE1 A:TRP109 3.2 5.5 1.0
N A:PRO208 3.4 4.4 1.0
CA A:PRO208 3.5 4.6 1.0
ND2 A:ASN38 3.7 6.0 1.0
CD1 A:TRP109 3.7 5.2 1.0
CD A:PRO208 3.7 4.6 1.0
CZ A:PHE169 3.7 5.1 1.0
C A:TRP207 3.7 5.1 1.0
CD1 A:ILE211 3.9 8.6 1.0
CB A:TRP207 4.0 4.2 1.0
CB A:PRO208 4.0 4.6 1.0
O A:TRP207 4.0 4.7 1.0
CE2 A:PHE169 4.0 5.8 1.0
CB A:ASN38 4.1 4.5 1.0
CG1 A:ILE211 4.1 6.5 1.0
CE2 A:PHE151 4.2 6.1 1.0
CG A:ASN38 4.4 5.4 1.0
CG A:PRO208 4.4 4.1 1.0
CE2 A:TRP109 4.5 5.3 1.0
CA A:TRP207 4.5 4.2 1.0
CL1 A:D2P1297 4.5 63.7 0.9
OD2 A:ASP108 4.6 6.5 1.0
CE1 A:PHE169 4.7 4.9 1.0
OD1 A:ASP108 4.7 10.7 1.0
O1 A:D2P1297 4.9 61.9 1.0
C A:PRO208 4.9 4.9 1.0

Reference:

M.Minincova, Z.Prokop, J.Vevodova, Y.Nagata, J.Damborsky. Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed By X-Ray Crystallography and Microcalorimetry Appl.Environ.Microbiol. V. 73 2005 2007.
ISSN: ISSN 0099-2240
PubMed: 17259360
DOI: 10.1128/AEM.02416-06
Page generated: Thu Jul 10 21:24:22 2025

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