Atomistry » Bromine » PDB 1iha-1m9r » 1k63
Atomistry »
  Bromine »
    PDB 1iha-1m9r »
      1k63 »

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: Wed Jul 10 16:47:38 2024

Last articles

Zn in 3HKQ
Zn in 3HKA
Zn in 3HKO
Zn in 3HKN
Zn in 3HK8
Zn in 3HK5
Zn in 3HJT
Zn in 3HJW
Zn in 3HGZ
Zn in 3HI2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy