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Bromine in PDB 2iuo: Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase

Enzymatic activity of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase

All present enzymatic activity of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase:
4.2.1.104;

Protein crystallography data

The structure of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase, PDB code: 2iuo was solved by M.Guilloton, M.A.Walsh, A.Joachimiak, M.P.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.70 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 76.600, 80.750, 82.280, 70.02, 71.81, 66.34
R / Rfree (%) 14.9 / 20.8

Other elements in 2iuo:

The structure of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase also contains other interesting chemical elements:

Chlorine (Cl) 10 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase (pdb code 2iuo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase, PDB code: 2iuo:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 2iuo

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Bromine binding site 1 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1157

b:12.9
occ:0.50
CL A:CL1158 0.4 8.8 0.5
O A:HOH2164 3.2 16.5 1.0
NH2 I:ARG96 3.2 8.5 1.0
NE D:ARG96 3.3 10.7 1.0
N A:ALA123 3.5 15.3 1.0
CD1 A:ILE120 3.6 13.2 1.0
BR J:BR1157 3.7 14.0 0.5
CD D:ARG96 3.7 6.7 1.0
CA A:GLY122 3.8 14.5 1.0
CD1 J:ILE120 3.8 13.7 1.0
CG1 A:ILE124 3.9 13.7 1.0
N A:ILE124 4.1 16.6 1.0
CL J:CL1158 4.1 12.2 0.5
CD2 J:LEU151 4.1 15.7 0.3
NE I:ARG96 4.2 10.6 1.0
CZ I:ARG96 4.2 10.4 1.0
C A:GLY122 4.2 15.8 1.0
CZ D:ARG96 4.3 10.4 1.0
CB A:ILE124 4.4 15.8 1.0
CA A:ALA123 4.5 15.6 1.0
NH2 D:ARG96 4.5 8.7 1.0
CD1 A:LEU151 4.6 19.0 0.3
CD1 J:LEU151 4.6 25.2 0.7
CG D:ARG96 4.7 7.4 1.0
C A:ALA123 4.7 16.1 1.0
CB A:ALA123 4.7 15.3 1.0
CD1 A:LEU151 4.7 17.6 0.7
CD2 A:LEU151 4.8 15.6 0.3
CA A:ILE124 4.9 17.1 1.0

Bromine binding site 2 out of 10 in 2iuo

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Bromine binding site 2 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1157

b:12.8
occ:0.50
CL B:CL1158 0.5 12.8 0.5
NH2 A:ARG96 3.2 9.2 1.0
O B:HOH2187 3.4 17.2 1.0
NE F:ARG96 3.4 7.4 1.0
BR D:BR1157 3.5 15.1 0.5
CD1 B:ILE120 3.6 14.2 1.0
N B:ALA123 3.6 17.1 1.0
CA B:GLY122 3.8 14.4 1.0
CD F:ARG96 3.8 8.0 1.0
CD1 D:ILE120 4.0 15.9 1.0
CG1 B:ILE124 4.1 18.4 1.0
CL D:CL1158 4.2 16.4 0.5
CZ A:ARG96 4.2 10.3 1.0
NE A:ARG96 4.2 9.5 1.0
C B:GLY122 4.3 16.3 1.0
N B:ILE124 4.3 19.1 1.0
CD1 D:LEU151 4.3 28.0 1.0
CB B:ILE124 4.4 20.1 1.0
CZ F:ARG96 4.4 9.5 1.0
NH2 F:ARG96 4.5 7.8 1.0
CA B:ALA123 4.6 17.6 1.0
CG F:ARG96 4.7 8.9 1.0
CD1 B:LEU151 4.7 23.5 1.0
O B:HOH2207 4.8 37.6 1.0
C B:ALA123 4.8 18.2 1.0
CB B:ALA123 4.9 17.4 1.0
N B:GLY122 5.0 12.4 1.0

Bromine binding site 3 out of 10 in 2iuo

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Bromine binding site 3 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1157

b:13.1
occ:0.50
CL C:CL1158 0.6 13.2 0.5
NH2 J:ARG96 3.2 8.6 1.0
O C:HOH2171 3.4 23.9 1.0
NE H:ARG96 3.4 11.6 1.0
CD1 C:ILE120 3.5 14.8 1.0
BR I:BR1157 3.5 16.7 0.5
N C:ALA123 3.6 18.4 1.0
CA C:GLY122 3.7 16.3 1.0
CD H:ARG96 3.8 9.4 1.0
CG1 C:ILE124 4.1 15.8 1.0
CD1 I:ILE120 4.2 15.7 1.0
CZ J:ARG96 4.2 11.5 1.0
N C:ILE124 4.2 19.2 1.0
C C:GLY122 4.2 17.1 1.0
NE J:ARG96 4.2 10.5 1.0
CL I:CL1158 4.3 15.1 0.5
CB C:ILE124 4.3 18.9 1.0
CZ H:ARG96 4.5 13.9 1.0
CD1 I:LEU151 4.6 25.4 1.0
CA C:ALA123 4.6 18.3 1.0
NH2 H:ARG96 4.6 14.6 1.0
CD1 C:LEU151 4.6 26.1 1.0
C C:ALA123 4.7 18.3 1.0
CG H:ARG96 4.8 9.4 1.0
O C:HOH2193 4.8 30.7 1.0
CB C:ALA123 4.9 18.7 1.0
N C:GLY122 4.9 14.4 1.0
CA C:ILE124 4.9 19.5 1.0

Bromine binding site 4 out of 10 in 2iuo

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Bromine binding site 4 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br1157

b:15.1
occ:0.50
CL D:CL1158 0.7 16.4 0.5
O D:HOH2165 3.0 19.4 1.0
NH2 F:ARG96 3.2 7.8 1.0
NE A:ARG96 3.4 9.5 1.0
BR B:BR1157 3.5 12.8 0.5
CD1 D:ILE120 3.6 15.9 1.0
N D:ALA123 3.7 23.8 1.0
CA D:GLY122 3.8 21.5 1.0
CD1 B:ILE120 3.9 14.2 1.0
CD A:ARG96 3.9 7.4 1.0
CL B:CL1158 4.0 12.8 0.5
NE F:ARG96 4.1 7.4 1.0
CZ F:ARG96 4.1 9.5 1.0
CG1 D:ILE124 4.2 20.0 1.0
N D:ILE124 4.3 22.9 1.0
C D:GLY122 4.3 23.5 1.0
CD1 B:LEU151 4.4 23.5 1.0
CZ A:ARG96 4.4 10.3 1.0
NH2 A:ARG96 4.5 9.2 1.0
CB D:ILE124 4.5 23.1 1.0
CD1 D:LEU151 4.6 28.0 1.0
CA D:ALA123 4.7 23.6 1.0
CG A:ARG96 4.8 10.2 1.0
C D:ALA123 4.9 23.4 1.0
N D:GLY122 5.0 19.6 1.0

Bromine binding site 5 out of 10 in 2iuo

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Bromine binding site 5 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br1157

b:17.1
occ:0.50
CL E:CL1158 0.6 15.1 0.5
O E:HOH2180 3.0 15.4 1.0
NH2 B:ARG96 3.2 11.5 1.0
NE G:ARG96 3.3 9.8 1.0
CD1 E:ILE120 3.3 15.3 1.0
BR F:BR1157 3.4 16.9 0.5
N E:ALA123 3.7 24.6 1.0
CA E:GLY122 3.7 23.4 1.0
CD G:ARG96 3.8 11.2 1.0
CD1 F:ILE120 3.8 16.0 1.0
CL F:CL1158 4.0 16.8 0.5
CZ B:ARG96 4.2 14.3 1.0
NE B:ARG96 4.2 13.4 1.0
CD2 F:LEU151 4.2 16.9 0.2
CG1 E:ILE124 4.2 20.9 1.0
CZ G:ARG96 4.3 11.6 1.0
C E:GLY122 4.3 24.1 1.0
NH2 G:ARG96 4.4 12.8 1.0
N E:ILE124 4.4 22.4 1.0
CD1 E:LEU151 4.5 23.5 0.8
CB E:ILE124 4.5 22.4 1.0
CD1 F:LEU151 4.6 21.3 0.8
CG G:ARG96 4.7 9.9 1.0
CA E:ALA123 4.8 23.6 1.0
CG1 E:ILE120 4.8 16.1 1.0
N E:GLY122 4.8 21.1 1.0
O E:HOH2203 4.9 30.0 1.0
CB E:ALA123 5.0 23.8 1.0
OE2 G:GLU99 5.0 11.7 1.0

Bromine binding site 6 out of 10 in 2iuo

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Bromine binding site 6 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br1157

b:16.9
occ:0.50
CL F:CL1158 0.7 16.8 0.5
NH2 G:ARG96 3.1 12.8 1.0
O F:HOH2176 3.2 12.4 1.0
NE B:ARG96 3.3 13.4 1.0
BR E:BR1157 3.4 17.1 0.5
CD1 F:ILE120 3.7 16.0 1.0
CA F:GLY122 3.7 23.8 1.0
N F:ALA123 3.8 25.2 1.0
CD B:ARG96 3.8 12.9 1.0
CL E:CL1158 3.9 15.1 0.5
CG1 F:ILE124 4.0 23.9 1.0
CZ G:ARG96 4.1 11.6 1.0
CD1 E:ILE120 4.1 15.3 1.0
NE G:ARG96 4.1 9.8 1.0
CD2 E:LEU151 4.2 17.2 0.2
CZ B:ARG96 4.3 14.3 1.0
C F:GLY122 4.3 24.9 1.0
NH2 B:ARG96 4.4 11.5 1.0
CB F:ILE124 4.4 24.2 1.0
N F:ILE124 4.5 23.5 1.0
CD1 E:LEU151 4.5 23.5 0.8
CG1 F:ILE120 4.7 16.5 1.0
CG B:ARG96 4.8 9.1 1.0
CD1 F:LEU151 4.8 21.3 0.8
CA F:ALA123 4.9 24.5 1.0
CG1 E:ILE120 4.9 16.1 1.0
N F:GLY122 4.9 21.4 1.0

Bromine binding site 7 out of 10 in 2iuo

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Bromine binding site 7 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br1157

b:13.6
occ:0.50
CL G:CL1158 0.6 16.2 0.5
O G:HOH2149 3.1 20.2 1.0
NH2 C:ARG96 3.2 9.2 1.0
NE E:ARG96 3.3 10.0 1.0
BR H:BR1157 3.5 14.3 0.5
CD1 G:ILE120 3.6 14.4 1.0
N G:ALA123 3.7 19.2 1.0
CD E:ARG96 3.8 9.2 1.0
CA G:GLY122 3.8 17.5 1.0
CD1 H:ILE120 3.8 16.8 1.0
CG1 G:ILE124 4.0 18.9 1.0
CL H:CL1158 4.1 12.1 0.5
N G:ILE124 4.2 20.4 1.0
CZ C:ARG96 4.2 12.4 1.0
NE C:ARG96 4.2 12.6 1.0
C G:GLY122 4.3 18.8 1.0
CZ E:ARG96 4.4 10.3 1.0
CB G:ILE124 4.4 20.9 1.0
NH2 E:ARG96 4.5 8.6 1.0
CD1 H:LEU151 4.5 26.1 1.0
CD1 G:LEU151 4.6 25.3 1.0
CA G:ALA123 4.7 19.9 1.0
CG E:ARG96 4.8 10.9 1.0
C G:ALA123 4.9 20.1 1.0
CG1 G:ILE120 4.9 12.6 1.0
CA G:ILE124 5.0 21.1 1.0
N G:GLY122 5.0 15.8 1.0

Bromine binding site 8 out of 10 in 2iuo

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Bromine binding site 8 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br1157

b:14.3
occ:0.50
CL H:CL1158 0.7 12.1 0.5
NH2 E:ARG96 3.2 8.6 1.0
O H:HOH2160 3.3 22.8 1.0
NE C:ARG96 3.3 12.6 1.0
BR G:BR1157 3.5 13.6 0.5
CD1 H:ILE120 3.5 16.8 1.0
N H:ALA123 3.6 19.5 1.0
CA H:GLY122 3.7 19.6 1.0
CD C:ARG96 3.9 11.3 1.0
CD1 G:ILE120 3.9 14.4 1.0
CG1 H:ILE124 4.0 18.4 1.0
CL G:CL1158 4.1 16.2 0.5
NE E:ARG96 4.1 10.0 1.0
CZ E:ARG96 4.1 10.3 1.0
C H:GLY122 4.2 20.3 1.0
N H:ILE124 4.3 20.3 1.0
CZ C:ARG96 4.4 12.4 1.0
CD1 G:LEU151 4.4 25.3 1.0
NH2 C:ARG96 4.4 9.2 1.0
CB H:ILE124 4.5 21.1 1.0
CA H:ALA123 4.6 19.3 1.0
CD1 H:LEU151 4.7 26.1 1.0
CG C:ARG96 4.7 9.0 1.0
C H:ALA123 4.8 18.9 1.0
CG1 H:ILE120 4.9 16.5 1.0
N H:GLY122 4.9 18.6 1.0

Bromine binding site 9 out of 10 in 2iuo

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Bromine binding site 9 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br1157

b:16.7
occ:0.50
CL I:CL1158 0.8 15.1 0.5
O I:HOH2157 3.2 20.6 1.0
NH2 H:ARG96 3.3 14.6 1.0
NE J:ARG96 3.3 10.5 1.0
BR C:BR1157 3.5 13.1 0.5
CD1 I:ILE120 3.5 15.7 1.0
N I:ALA123 3.7 22.9 1.0
CA I:GLY122 3.8 20.8 1.0
CD J:ARG96 3.8 10.6 1.0
CD1 C:ILE120 4.0 14.8 1.0
CL C:CL1158 4.1 13.2 0.5
CG1 I:ILE124 4.1 23.2 1.0
NE H:ARG96 4.1 11.6 1.0
CZ H:ARG96 4.2 13.9 1.0
N I:ILE124 4.3 22.4 1.0
CZ J:ARG96 4.3 11.5 1.0
C I:GLY122 4.3 22.6 1.0
CD1 C:LEU151 4.4 26.1 1.0
NH2 J:ARG96 4.4 8.6 1.0
CB I:ILE124 4.5 23.3 1.0
CG J:ARG96 4.6 10.4 1.0
CA I:ALA123 4.7 22.8 1.0
CD1 I:LEU151 4.7 25.4 1.0
O I:HOH2153 4.9 52.3 1.0
C I:ALA123 4.9 22.6 1.0
N I:GLY122 4.9 17.6 1.0
CB I:ALA123 4.9 21.9 1.0
O I:HOH2172 4.9 35.3 1.0
CG1 I:ILE120 5.0 13.1 1.0

Bromine binding site 10 out of 10 in 2iuo

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Bromine binding site 10 out of 10 in the Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Br1157

b:14.0
occ:0.50
CL J:CL1158 0.6 12.2 0.5
NH2 D:ARG96 3.2 8.7 1.0
NE I:ARG96 3.2 10.6 1.0
O J:HOH2186 3.3 19.5 1.0
CD1 J:ILE120 3.5 13.7 1.0
N J:ALA123 3.5 19.4 1.0
CA J:GLY122 3.7 18.6 1.0
CD I:ARG96 3.7 7.5 1.0
BR A:BR1157 3.7 12.9 0.5
CZ D:ARG96 4.1 10.4 1.0
CL A:CL1158 4.1 8.8 0.5
NE D:ARG96 4.1 10.7 1.0
CD1 A:ILE120 4.1 13.2 1.0
C J:GLY122 4.1 19.4 1.0
CD1 J:LEU151 4.2 25.2 0.7
CD1 A:LEU151 4.2 19.0 0.3
CG1 J:ILE124 4.2 16.9 1.0
N J:ILE124 4.3 20.0 1.0
CZ I:ARG96 4.3 10.4 1.0
NH2 I:ARG96 4.5 8.5 1.0
CG I:ARG96 4.5 7.9 1.0
CA J:ALA123 4.6 19.1 1.0
CB J:ILE124 4.6 21.1 1.0
CD1 A:LEU151 4.7 17.6 0.7
N J:GLY122 4.8 18.0 1.0
CG1 J:ILE120 4.8 12.8 1.0
C J:ALA123 4.8 19.5 1.0
CB J:ALA123 4.8 18.4 1.0
O J:HOH2201 5.0 52.9 1.0

Reference:

M.Guilloton, M.A.Walsh, A.Joachimiak, P.M.Anderson. A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase To Be Published.
Page generated: Wed Jul 10 18:10:33 2024

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