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Bromine 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:

Magnesium (Mg) 3 atoms
Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 4 binding sites of Bromine 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 Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1k63

Go back to Bromine Binding Sites List in 1k63
Bromine binding site 1 out of 4 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 Bromine with other atoms in the Br 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:Br1001

b:19.8
occ:0.60
CL A:CL1003 0.4 21.8 0.4
O A:BRP2001 3.0 54.3 0.5
NE1 A:TRP109 3.4 4.8 1.0
C3 A:BRP2001 3.4 57.5 0.5
ND2 A:ASN38 3.4 4.6 1.0
O A:BRP2002 3.6 52.5 0.5
CZ A:PHE169 3.6 6.2 1.0
N A:PRO208 3.6 5.8 1.0
CA A:PRO208 3.7 4.6 1.0
CD1 A:ILE211 3.8 4.1 1.0
CD1 A:TRP109 3.9 3.7 1.0
CD A:PRO208 3.9 4.2 1.0
O A:HOH2003 3.9 30.1 1.0
C A:TRP207 3.9 7.7 1.0
CE2 A:PHE169 3.9 8.2 1.0
CB A:PRO208 4.0 3.6 1.0
CB A:ASN38 4.0 6.3 1.0
CB A:TRP207 4.0 5.3 1.0
O A:TRP207 4.1 3.6 1.0
CE2 A:PHE151 4.1 6.8 1.0
CG A:ASN38 4.2 11.1 1.0
CG1 A:ILE211 4.2 1.9 1.0
C2 A:BRP2001 4.6 57.9 0.5
CG A:PRO208 4.6 5.8 1.0
CE2 A:TRP109 4.6 5.0 1.0
CE1 A:PHE169 4.6 6.3 1.0
CA A:TRP207 4.6 8.2 1.0
OD1 A:ASP108 4.8 17.7 1.0
OD2 A:ASP108 4.8 5.0 1.0
C3 A:BRP2002 4.9 54.3 0.5
CZ A:PHE151 4.9 9.0 1.0
CD2 A:PHE151 5.0 9.2 1.0

Bromine binding site 2 out of 4 in 1k63

Go back to Bromine Binding Sites List in 1k63
Bromine binding site 2 out of 4 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 Bromine with other atoms in the Br 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:Br1002

b:16.6
occ:0.40
CL A:CL1004 0.7 23.7 0.6
N A:ALA218 3.2 8.5 1.0
O A:HOH2340 3.3 24.3 1.0
CG2 A:THR216 3.5 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 4.1 12.4 1.0
CA A:ALA218 4.3 8.1 1.0
CB A:PRO217 4.3 8.8 1.0
CA A:THR216 4.6 8.6 1.0
CB A:THR216 4.6 14.3 1.0
O A:HOH2396 4.6 31.2 1.0
N A:PRO217 4.8 7.2 1.0
OG1 A:THR216 4.9 28.3 1.0

Bromine binding site 3 out of 4 in 1k63

Go back to Bromine Binding Sites List in 1k63
Bromine binding site 3 out of 4 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 Bromine with other atoms in the Br binding site number 3 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:Br2001

b:59.7
occ:0.50
BR A:BRP2001 0.0 59.7 0.5
C2 A:BRP2002 0.2 56.0 0.5
C1 A:BRP2002 1.3 55.1 0.5
C3 A:BRP2002 1.7 54.3 0.5
BR A:BRP2002 1.7 64.6 0.5
C2 A:BRP2001 1.9 57.9 0.5
O A:BRP2002 2.7 52.5 0.5
C1 A:BRP2001 2.8 58.5 0.5
C3 A:BRP2001 2.9 57.5 0.5
O A:HOH2003 4.0 30.1 1.0
CZ A:PHE151 4.0 9.0 1.0
CD1 A:LEU177 4.0 8.3 1.0
CD2 A:HIS272 4.1 12.1 1.0
CG A:HIS272 4.1 7.6 1.0
O A:BRP2001 4.2 54.3 0.5
NE2 A:HIS272 4.2 8.4 1.0
ND1 A:HIS272 4.3 5.9 1.0
CE1 A:HIS272 4.3 11.7 1.0
CE2 A:PHE151 4.5 6.8 1.0
CE1 A:PHE151 4.6 8.9 1.0
CZ A:PHE143 4.6 10.6 1.0
CB A:HIS272 4.8 5.6 1.0
OD1 A:ASP108 4.8 17.7 1.0
O A:HOH2464 4.9 24.1 1.0

Bromine binding site 4 out of 4 in 1k63

Go back to Bromine Binding Sites List in 1k63
Bromine binding site 4 out of 4 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 Bromine with other atoms in the Br binding site number 4 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:Br2002

b:64.6
occ:0.50
BR A:BRP2002 0.0 64.6 0.5
BR A:BRP2001 1.7 59.7 0.5
C2 A:BRP2002 1.9 56.0 0.5
C1 A:BRP2002 2.8 55.1 0.5
C3 A:BRP2002 3.0 54.3 0.5
C2 A:BRP2001 3.2 57.9 0.5
O A:HOH2464 3.6 24.1 1.0
C1 A:BRP2001 3.6 58.5 0.5
CD1 A:LEU177 3.7 8.3 1.0
CG A:PRO144 3.8 13.9 1.0
CB A:ALA247 4.1 7.9 1.0
O A:BRP2002 4.2 52.5 0.5
CG A:HIS272 4.3 7.6 1.0
ND1 A:HIS272 4.3 5.9 1.0
CB A:HIS272 4.4 5.6 1.0
C3 A:BRP2001 4.6 57.5 0.5
CZ A:PHE143 4.6 10.6 1.0
CD A:PRO144 4.7 13.7 1.0
CD2 A:HIS272 4.7 12.1 1.0
N A:LEU248 4.8 7.0 1.0
CB A:LEU248 4.8 9.8 1.0
CE1 A:HIS272 4.8 11.7 1.0
CD2 A:LEU177 4.9 12.0 1.0
CG A:LEU177 4.9 8.2 1.0
CB A:PRO144 4.9 13.5 1.0
CZ A:PHE151 4.9 9.0 1.0
OD2 A:ASP147 5.0 31.3 1.0
CE2 A:PHE143 5.0 12.6 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: Sat Dec 12 02:02:00 2020

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