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:
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
Go back to
Bromine Binding Sites List in 2iuo
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 Sites List in 2iuo
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 Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
Go back to
Bromine Binding Sites List in 2iuo
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
|