Bromine in PDB 6zxx: Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
Protein crystallography data
The structure of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged., PDB code: 6zxx
was solved by
D.Leys,
T.Halliwell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
106.58 /
1.99
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
180.182,
170.391,
107.957,
90.00,
99.16,
90.00
|
|
R / Rfree (%)
|
18.2 /
21.8
|
Other elements in 6zxx:
The structure of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. also contains other interesting chemical elements:
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Bromine atom in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
(pdb code 6zxx). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the
Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged., PDB code: 6zxx:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 1 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br705
b:20.4
occ:0.40
|
BR1
|
A:QSH705
|
0.0
|
20.4
|
0.4
|
|
BR1
|
A:QSB706
|
0.9
|
21.2
|
0.3
|
|
C02
|
A:QSB706
|
1.2
|
20.6
|
0.3
|
|
C02
|
A:QSH705
|
1.9
|
20.5
|
0.4
|
|
C03
|
A:QSB706
|
2.2
|
20.4
|
0.3
|
|
C01
|
A:QSB706
|
2.3
|
20.4
|
0.3
|
|
O10
|
A:QSB706
|
2.6
|
20.0
|
0.3
|
|
C01
|
A:QSH705
|
2.8
|
20.8
|
0.4
|
|
C03
|
A:QSH705
|
2.9
|
20.7
|
0.4
|
|
O09
|
A:QSH705
|
3.1
|
20.3
|
0.4
|
|
CB
|
A:SER422
|
3.4
|
18.2
|
1.0
|
|
OG
|
A:SER422
|
3.4
|
20.0
|
1.0
|
|
C04
|
A:QSB706
|
3.5
|
20.3
|
0.3
|
|
C06
|
A:QSB706
|
3.6
|
21.0
|
0.3
|
|
CE
|
A:MET423
|
3.7
|
26.9
|
1.0
|
|
O
|
A:HOH970
|
3.8
|
10.0
|
1.0
|
|
NH1
|
A:ARG552
|
3.8
|
19.4
|
1.0
|
|
CB
|
A:PRO311
|
3.9
|
22.1
|
1.0
|
|
CA
|
A:ALA419
|
3.9
|
14.7
|
1.0
|
|
CB
|
A:ALA419
|
3.9
|
15.9
|
1.0
|
|
C05
|
A:QSB706
|
4.0
|
20.4
|
0.3
|
|
C06
|
A:QSH705
|
4.1
|
21.1
|
0.4
|
|
C04
|
A:QSH705
|
4.1
|
20.6
|
0.4
|
|
CB
|
A:ALA560
|
4.2
|
19.0
|
1.0
|
|
O
|
A:ALA419
|
4.4
|
15.0
|
1.0
|
|
CE2
|
A:PHE310
|
4.4
|
20.6
|
1.0
|
|
C05
|
A:QSH705
|
4.7
|
20.9
|
0.4
|
|
C
|
A:ALA419
|
4.7
|
14.9
|
1.0
|
|
CA
|
A:PRO311
|
4.8
|
21.4
|
1.0
|
|
C07
|
A:QSB706
|
4.8
|
22.1
|
0.3
|
|
CZ
|
A:ARG552
|
4.8
|
17.7
|
1.0
|
|
CA
|
A:SER422
|
4.8
|
17.6
|
1.0
|
|
N
|
A:ALA419
|
4.9
|
15.6
|
1.0
|
|
CG
|
A:PRO311
|
4.9
|
22.5
|
1.0
|
|
O09
|
A:QSB706
|
4.9
|
22.3
|
0.3
|
|
CG
|
A:MET423
|
5.0
|
19.5
|
1.0
|
|
Bromine binding site 2 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 2 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br705
b:23.1
occ:0.40
|
BR2
|
A:QSH705
|
0.0
|
23.1
|
0.4
|
|
BR
|
A:BR707
|
0.8
|
21.1
|
0.3
|
|
C04
|
A:QSH705
|
1.9
|
20.6
|
0.4
|
|
C04
|
A:QSB706
|
2.4
|
20.3
|
0.3
|
|
C03
|
A:QSH705
|
2.8
|
20.7
|
0.4
|
|
C05
|
A:QSH705
|
2.9
|
20.9
|
0.4
|
|
O09
|
A:QSH705
|
2.9
|
20.3
|
0.4
|
|
C05
|
A:QSB706
|
3.0
|
20.4
|
0.3
|
|
CO
|
A:B12703
|
3.2
|
15.7
|
1.0
|
|
OH
|
A:TYR426
|
3.2
|
21.2
|
1.0
|
|
N24
|
A:B12703
|
3.3
|
16.3
|
1.0
|
|
NZ
|
A:LYS488
|
3.4
|
19.0
|
1.0
|
|
C03
|
A:QSB706
|
3.5
|
20.4
|
0.3
|
|
NH2
|
A:ARG552
|
3.6
|
17.8
|
1.0
|
|
N23
|
A:B12703
|
3.7
|
15.2
|
1.0
|
|
CE2
|
A:PHE291
|
3.7
|
22.2
|
1.0
|
|
N21
|
A:B12703
|
3.7
|
16.0
|
1.0
|
|
O10
|
A:QSB706
|
3.7
|
20.0
|
0.3
|
|
N22
|
A:B12703
|
4.1
|
15.6
|
1.0
|
|
C02
|
A:QSH705
|
4.1
|
20.5
|
0.4
|
|
C19
|
A:B12703
|
4.1
|
16.4
|
1.0
|
|
O
|
A:HOH826
|
4.2
|
10.1
|
0.5
|
|
C06
|
A:QSH705
|
4.2
|
21.1
|
0.4
|
|
C16
|
A:B12703
|
4.2
|
16.3
|
1.0
|
|
C14
|
A:B12703
|
4.3
|
15.6
|
1.0
|
|
C11
|
A:B12703
|
4.3
|
15.9
|
1.0
|
|
C6
|
A:B12703
|
4.3
|
15.0
|
1.0
|
|
C06
|
A:QSB706
|
4.3
|
21.0
|
0.3
|
|
C4
|
A:B12703
|
4.4
|
16.6
|
1.0
|
|
CZ
|
A:PHE291
|
4.4
|
25.8
|
1.0
|
|
CZ
|
A:TYR426
|
4.4
|
19.1
|
1.0
|
|
C54
|
A:B12703
|
4.4
|
15.8
|
1.0
|
|
C15
|
A:B12703
|
4.5
|
15.3
|
1.0
|
|
C9
|
A:B12703
|
4.5
|
14.1
|
1.0
|
|
C1
|
A:B12703
|
4.5
|
15.7
|
1.0
|
|
C10
|
A:B12703
|
4.6
|
15.2
|
1.0
|
|
C5
|
A:B12703
|
4.6
|
15.9
|
1.0
|
|
C37
|
A:B12703
|
4.6
|
14.3
|
1.0
|
|
C01
|
A:QSH705
|
4.6
|
20.8
|
0.4
|
|
CZ
|
A:ARG552
|
4.7
|
17.7
|
1.0
|
|
C02
|
A:QSB706
|
4.7
|
20.6
|
0.3
|
|
C26
|
A:B12703
|
4.7
|
16.4
|
1.0
|
|
CD2
|
A:PHE291
|
4.7
|
23.1
|
1.0
|
|
ND2
|
A:ASN452
|
4.7
|
13.9
|
0.5
|
|
CE2
|
A:TYR426
|
4.7
|
18.6
|
1.0
|
|
CE
|
A:LYS488
|
4.8
|
18.4
|
1.0
|
|
NH1
|
A:ARG552
|
4.8
|
19.4
|
1.0
|
|
C17
|
A:B12703
|
4.9
|
16.4
|
1.0
|
|
O
|
A:HOH801
|
4.9
|
24.3
|
0.5
|
|
C01
|
A:QSB706
|
5.0
|
20.4
|
0.3
|
|
Bromine binding site 3 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 3 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br706
b:21.2
occ:0.30
|
BR1
|
A:QSB706
|
0.0
|
21.2
|
0.3
|
|
BR1
|
A:QSH705
|
0.9
|
20.4
|
0.4
|
|
C02
|
A:QSB706
|
1.9
|
20.6
|
0.3
|
|
C02
|
A:QSH705
|
2.6
|
20.5
|
0.4
|
|
C01
|
A:QSB706
|
2.9
|
20.4
|
0.3
|
|
C03
|
A:QSB706
|
2.9
|
20.4
|
0.3
|
|
O10
|
A:QSB706
|
3.1
|
20.0
|
0.3
|
|
CB
|
A:ALA419
|
3.3
|
15.9
|
1.0
|
|
CA
|
A:ALA419
|
3.4
|
14.7
|
1.0
|
|
CB
|
A:ALA560
|
3.4
|
19.0
|
1.0
|
|
O
|
A:HOH970
|
3.4
|
10.0
|
1.0
|
|
C01
|
A:QSH705
|
3.4
|
20.8
|
0.4
|
|
C03
|
A:QSH705
|
3.6
|
20.7
|
0.4
|
|
CB
|
A:PRO311
|
3.7
|
22.1
|
1.0
|
|
O09
|
A:QSH705
|
3.7
|
20.3
|
0.4
|
|
OG
|
A:SER422
|
3.7
|
20.0
|
1.0
|
|
NH1
|
A:ARG552
|
3.7
|
19.4
|
1.0
|
|
CB
|
A:SER422
|
3.8
|
18.2
|
1.0
|
|
CE2
|
A:PHE310
|
4.1
|
20.6
|
1.0
|
|
C06
|
A:QSB706
|
4.2
|
21.0
|
0.3
|
|
C04
|
A:QSB706
|
4.2
|
20.3
|
0.3
|
|
CE
|
A:MET423
|
4.3
|
26.9
|
1.0
|
|
O
|
A:ALA419
|
4.3
|
15.0
|
1.0
|
|
N
|
A:ALA419
|
4.3
|
15.6
|
1.0
|
|
CA
|
A:PRO311
|
4.3
|
21.4
|
1.0
|
|
C
|
A:ALA419
|
4.4
|
14.9
|
1.0
|
|
CD2
|
A:PHE310
|
4.7
|
21.3
|
1.0
|
|
C05
|
A:QSB706
|
4.7
|
20.4
|
0.3
|
|
C06
|
A:QSH705
|
4.8
|
21.1
|
0.4
|
|
CZ
|
A:ARG552
|
4.8
|
17.7
|
1.0
|
|
CG
|
A:PRO311
|
4.8
|
22.5
|
1.0
|
|
C04
|
A:QSH705
|
4.8
|
20.6
|
0.4
|
|
CA
|
A:ALA560
|
4.9
|
17.9
|
1.0
|
|
CZ
|
A:PHE310
|
4.9
|
20.2
|
1.0
|
|
O
|
A:SER559
|
4.9
|
17.3
|
1.0
|
|
O
|
A:SER418
|
5.0
|
16.1
|
1.0
|
|
C
|
A:SER418
|
5.0
|
16.4
|
1.0
|
|
Bromine binding site 4 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 4 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br707
b:21.1
occ:0.30
|
BR2
|
A:QSH705
|
0.8
|
23.1
|
0.4
|
|
CO
|
A:B12703
|
2.4
|
15.7
|
1.0
|
|
C04
|
A:QSH705
|
2.7
|
20.6
|
0.4
|
|
N24
|
A:B12703
|
2.9
|
16.3
|
1.0
|
|
N21
|
A:B12703
|
3.1
|
16.0
|
1.0
|
|
N23
|
A:B12703
|
3.1
|
15.2
|
1.0
|
|
C04
|
A:QSB706
|
3.1
|
20.3
|
0.3
|
|
N22
|
A:B12703
|
3.3
|
15.6
|
1.0
|
|
O09
|
A:QSH705
|
3.3
|
20.3
|
0.4
|
|
NZ
|
A:LYS488
|
3.4
|
19.0
|
1.0
|
|
C03
|
A:QSH705
|
3.4
|
20.7
|
0.4
|
|
NH2
|
A:ARG552
|
3.6
|
17.8
|
1.0
|
|
C6
|
A:B12703
|
3.6
|
15.0
|
1.0
|
|
OH
|
A:TYR426
|
3.6
|
21.2
|
1.0
|
|
C05
|
A:QSH705
|
3.7
|
20.9
|
0.4
|
|
C4
|
A:B12703
|
3.7
|
16.6
|
1.0
|
|
C11
|
A:B12703
|
3.7
|
15.9
|
1.0
|
|
C9
|
A:B12703
|
3.8
|
14.1
|
1.0
|
|
C19
|
A:B12703
|
3.8
|
16.4
|
1.0
|
|
C05
|
A:QSB706
|
3.9
|
20.4
|
0.3
|
|
C14
|
A:B12703
|
3.9
|
15.6
|
1.0
|
|
C5
|
A:B12703
|
3.9
|
15.9
|
1.0
|
|
C10
|
A:B12703
|
3.9
|
15.2
|
1.0
|
|
C16
|
A:B12703
|
4.0
|
16.3
|
1.0
|
|
C1
|
A:B12703
|
4.0
|
15.7
|
1.0
|
|
C03
|
A:QSB706
|
4.0
|
20.4
|
0.3
|
|
O10
|
A:QSB706
|
4.1
|
20.0
|
0.3
|
|
CE2
|
A:PHE291
|
4.1
|
22.2
|
1.0
|
|
C37
|
A:B12703
|
4.1
|
14.3
|
1.0
|
|
C15
|
A:B12703
|
4.3
|
15.3
|
1.0
|
|
C7
|
A:B12703
|
4.4
|
13.4
|
1.0
|
|
C26
|
A:B12703
|
4.5
|
16.4
|
1.0
|
|
O
|
A:HOH826
|
4.5
|
10.1
|
0.5
|
|
CZ
|
A:ARG552
|
4.6
|
17.7
|
1.0
|
|
C54
|
A:B12703
|
4.6
|
15.8
|
1.0
|
|
CZ
|
A:PHE291
|
4.7
|
25.8
|
1.0
|
|
C02
|
A:QSH705
|
4.7
|
20.5
|
0.4
|
|
C38
|
A:B12703
|
4.8
|
15.1
|
1.0
|
|
O39
|
A:B12703
|
4.8
|
17.9
|
1.0
|
|
C2
|
A:B12703
|
4.8
|
16.3
|
1.0
|
|
C8
|
A:B12703
|
4.8
|
12.8
|
1.0
|
|
CE
|
A:LYS488
|
4.8
|
18.4
|
1.0
|
|
NH1
|
A:ARG552
|
4.8
|
19.4
|
1.0
|
|
CZ
|
A:TYR426
|
4.8
|
19.1
|
1.0
|
|
C17
|
A:B12703
|
4.9
|
16.4
|
1.0
|
|
C3
|
A:B12703
|
4.9
|
16.3
|
1.0
|
|
C06
|
A:QSH705
|
5.0
|
21.1
|
0.4
|
|
C12
|
A:B12703
|
5.0
|
14.9
|
1.0
|
|
C18
|
A:B12703
|
5.0
|
17.3
|
1.0
|
|
Bromine binding site 5 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 5 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br705
b:24.6
occ:0.40
|
BR1
|
B:QSH705
|
0.0
|
24.6
|
0.4
|
|
BR1
|
B:QSB706
|
0.9
|
29.2
|
0.3
|
|
C02
|
B:QSB706
|
1.2
|
26.1
|
0.3
|
|
C02
|
B:QSH705
|
1.9
|
22.5
|
0.4
|
|
C03
|
B:QSB706
|
2.2
|
25.6
|
0.3
|
|
C01
|
B:QSB706
|
2.3
|
25.7
|
0.3
|
|
O10
|
B:QSB706
|
2.6
|
23.8
|
0.3
|
|
C03
|
B:QSH705
|
2.8
|
22.9
|
0.4
|
|
C01
|
B:QSH705
|
2.8
|
22.8
|
0.4
|
|
O09
|
B:QSH705
|
2.9
|
20.0
|
0.4
|
|
C04
|
B:QSB706
|
3.4
|
25.4
|
0.3
|
|
CB
|
B:SER422
|
3.5
|
18.2
|
1.0
|
|
C06
|
B:QSB706
|
3.5
|
25.9
|
0.3
|
|
OG
|
B:SER422
|
3.6
|
16.4
|
1.0
|
|
O
|
B:HOH991
|
3.6
|
15.9
|
1.0
|
|
CE
|
B:MET423
|
3.7
|
29.3
|
1.0
|
|
CB
|
B:PRO311
|
3.9
|
25.7
|
1.0
|
|
CB
|
B:ALA419
|
4.0
|
21.6
|
1.0
|
|
CA
|
B:ALA419
|
4.0
|
21.0
|
1.0
|
|
C05
|
B:QSB706
|
4.0
|
25.5
|
0.3
|
|
C06
|
B:QSH705
|
4.1
|
22.9
|
0.4
|
|
C04
|
B:QSH705
|
4.1
|
22.3
|
0.4
|
|
CB
|
B:ALA560
|
4.1
|
24.5
|
1.0
|
|
NH2
|
B:ARG552
|
4.2
|
26.9
|
1.0
|
|
CE1
|
B:PHE310
|
4.3
|
25.6
|
1.0
|
|
O
|
B:ALA419
|
4.4
|
19.2
|
1.0
|
|
NH1
|
B:ARG552
|
4.6
|
25.9
|
1.0
|
|
C05
|
B:QSH705
|
4.6
|
22.6
|
0.4
|
|
C
|
B:ALA419
|
4.7
|
20.5
|
1.0
|
|
CA
|
B:PRO311
|
4.7
|
25.2
|
1.0
|
|
C07
|
B:QSB706
|
4.8
|
26.3
|
0.3
|
|
CZ
|
B:ARG552
|
4.9
|
25.6
|
1.0
|
|
CG
|
B:PRO311
|
4.9
|
24.2
|
1.0
|
|
CZ
|
B:PHE310
|
4.9
|
24.2
|
1.0
|
|
CA
|
B:SER422
|
4.9
|
18.9
|
1.0
|
|
N
|
B:ALA419
|
5.0
|
23.8
|
1.0
|
|
Bromine binding site 6 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 6 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br705
b:24.5
occ:0.40
|
BR2
|
B:QSH705
|
0.0
|
24.5
|
0.4
|
|
BR
|
B:BR707
|
0.9
|
23.2
|
0.3
|
|
C04
|
B:QSH705
|
1.9
|
22.3
|
0.4
|
|
C04
|
B:QSB706
|
2.4
|
25.4
|
0.3
|
|
C05
|
B:QSH705
|
2.8
|
22.6
|
0.4
|
|
C03
|
B:QSH705
|
2.8
|
22.9
|
0.4
|
|
C05
|
B:QSB706
|
3.0
|
25.5
|
0.3
|
|
OH
|
B:TYR426
|
3.1
|
26.9
|
0.5
|
|
OH
|
B:TYR426
|
3.1
|
27.4
|
0.5
|
|
N24
|
B:B12703
|
3.1
|
19.1
|
1.0
|
|
O09
|
B:QSH705
|
3.1
|
20.0
|
0.4
|
|
CO
|
B:B12703
|
3.2
|
20.4
|
1.0
|
|
NH1
|
B:ARG552
|
3.2
|
25.9
|
1.0
|
|
NZ
|
B:LYS488
|
3.3
|
17.3
|
1.0
|
|
C03
|
B:QSB706
|
3.5
|
25.6
|
0.3
|
|
N21
|
B:B12703
|
3.7
|
20.1
|
1.0
|
|
N23
|
B:B12703
|
3.7
|
19.3
|
1.0
|
|
CE2
|
B:PHE291
|
3.8
|
20.6
|
1.0
|
|
O10
|
B:QSB706
|
3.8
|
23.8
|
0.3
|
|
C19
|
B:B12703
|
4.0
|
18.2
|
1.0
|
|
C16
|
B:B12703
|
4.1
|
18.5
|
1.0
|
|
C06
|
B:QSH705
|
4.1
|
22.9
|
0.4
|
|
C02
|
B:QSH705
|
4.1
|
22.5
|
0.4
|
|
N22
|
B:B12703
|
4.2
|
19.6
|
1.0
|
|
C06
|
B:QSB706
|
4.3
|
25.9
|
0.3
|
|
C14
|
B:B12703
|
4.3
|
18.4
|
1.0
|
|
CZ
|
B:TYR426
|
4.3
|
24.9
|
0.5
|
|
CZ
|
B:TYR426
|
4.3
|
25.3
|
0.5
|
|
C54
|
B:B12703
|
4.4
|
17.4
|
1.0
|
|
O
|
B:HOH855
|
4.4
|
29.4
|
1.0
|
|
C4
|
B:B12703
|
4.4
|
19.5
|
1.0
|
|
C6
|
B:B12703
|
4.4
|
20.1
|
1.0
|
|
C15
|
B:B12703
|
4.4
|
18.1
|
1.0
|
|
C1
|
B:B12703
|
4.4
|
18.9
|
1.0
|
|
CZ
|
B:PHE291
|
4.5
|
20.6
|
1.0
|
|
CZ
|
B:ARG552
|
4.5
|
25.6
|
1.0
|
|
C11
|
B:B12703
|
4.5
|
18.7
|
1.0
|
|
C37
|
B:B12703
|
4.5
|
21.3
|
1.0
|
|
C26
|
B:B12703
|
4.6
|
17.8
|
1.0
|
|
ND2
|
B:ASN452
|
4.6
|
19.4
|
0.5
|
|
C02
|
B:QSB706
|
4.6
|
26.1
|
0.3
|
|
C01
|
B:QSH705
|
4.6
|
22.8
|
0.4
|
|
C9
|
B:B12703
|
4.6
|
19.1
|
1.0
|
|
C5
|
B:B12703
|
4.7
|
19.6
|
1.0
|
|
CE2
|
B:TYR426
|
4.7
|
24.2
|
0.5
|
|
CE2
|
B:TYR426
|
4.7
|
24.5
|
0.5
|
|
CD2
|
B:PHE291
|
4.7
|
22.3
|
1.0
|
|
CE
|
B:LYS488
|
4.7
|
17.1
|
1.0
|
|
C10
|
B:B12703
|
4.8
|
19.6
|
1.0
|
|
C17
|
B:B12703
|
4.8
|
18.1
|
1.0
|
|
C01
|
B:QSB706
|
4.9
|
25.7
|
0.3
|
|
Bromine binding site 7 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 7 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br706
b:29.2
occ:0.30
|
BR1
|
B:QSB706
|
0.0
|
29.2
|
0.3
|
|
BR1
|
B:QSH705
|
0.9
|
24.6
|
0.4
|
|
C02
|
B:QSB706
|
1.9
|
26.1
|
0.3
|
|
C02
|
B:QSH705
|
2.6
|
22.5
|
0.4
|
|
C01
|
B:QSB706
|
2.9
|
25.7
|
0.3
|
|
C03
|
B:QSB706
|
2.9
|
25.6
|
0.3
|
|
O10
|
B:QSB706
|
3.1
|
23.8
|
0.3
|
|
O
|
B:HOH991
|
3.2
|
15.9
|
1.0
|
|
CB
|
B:ALA560
|
3.3
|
24.5
|
1.0
|
|
CB
|
B:ALA419
|
3.4
|
21.6
|
1.0
|
|
O09
|
B:QSH705
|
3.4
|
20.0
|
0.4
|
|
C03
|
B:QSH705
|
3.5
|
22.9
|
0.4
|
|
C01
|
B:QSH705
|
3.5
|
22.8
|
0.4
|
|
CA
|
B:ALA419
|
3.5
|
21.0
|
1.0
|
|
CB
|
B:PRO311
|
3.7
|
25.7
|
1.0
|
|
OG
|
B:SER422
|
3.8
|
16.4
|
1.0
|
|
CB
|
B:SER422
|
3.9
|
18.2
|
1.0
|
|
CE1
|
B:PHE310
|
4.0
|
25.6
|
1.0
|
|
NH2
|
B:ARG552
|
4.0
|
26.9
|
1.0
|
|
C06
|
B:QSB706
|
4.2
|
25.9
|
0.3
|
|
C04
|
B:QSB706
|
4.2
|
25.4
|
0.3
|
|
CA
|
B:PRO311
|
4.4
|
25.2
|
1.0
|
|
CE
|
B:MET423
|
4.4
|
29.3
|
1.0
|
|
N
|
B:ALA419
|
4.4
|
23.8
|
1.0
|
|
O
|
B:ALA419
|
4.4
|
19.2
|
1.0
|
|
C
|
B:ALA419
|
4.5
|
20.5
|
1.0
|
|
CD1
|
B:PHE310
|
4.6
|
27.2
|
1.0
|
|
C05
|
B:QSB706
|
4.7
|
25.5
|
0.3
|
|
C06
|
B:QSH705
|
4.8
|
22.9
|
0.4
|
|
C04
|
B:QSH705
|
4.8
|
22.3
|
0.4
|
|
CZ
|
B:ARG552
|
4.8
|
25.6
|
1.0
|
|
NH1
|
B:ARG552
|
4.8
|
25.9
|
1.0
|
|
CA
|
B:ALA560
|
4.8
|
23.6
|
1.0
|
|
CZ
|
B:PHE310
|
4.8
|
24.2
|
1.0
|
|
CG
|
B:PRO311
|
4.9
|
24.2
|
1.0
|
|
O
|
B:SER559
|
4.9
|
23.8
|
1.0
|
|
Bromine binding site 8 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 8 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br707
b:23.2
occ:0.30
|
BR2
|
B:QSH705
|
0.9
|
24.5
|
0.4
|
|
CO
|
B:B12703
|
2.3
|
20.4
|
1.0
|
|
C04
|
B:QSH705
|
2.7
|
22.3
|
0.4
|
|
N24
|
B:B12703
|
2.8
|
19.1
|
1.0
|
|
N21
|
B:B12703
|
2.9
|
20.1
|
1.0
|
|
N23
|
B:B12703
|
3.1
|
19.3
|
1.0
|
|
NH1
|
B:ARG552
|
3.2
|
25.9
|
1.0
|
|
C04
|
B:QSB706
|
3.2
|
25.4
|
0.3
|
|
N22
|
B:B12703
|
3.3
|
19.6
|
1.0
|
|
NZ
|
B:LYS488
|
3.3
|
17.3
|
1.0
|
|
O09
|
B:QSH705
|
3.5
|
20.0
|
0.4
|
|
C03
|
B:QSH705
|
3.5
|
22.9
|
0.4
|
|
C6
|
B:B12703
|
3.5
|
20.1
|
1.0
|
|
OH
|
B:TYR426
|
3.6
|
26.9
|
0.5
|
|
OH
|
B:TYR426
|
3.6
|
27.4
|
0.5
|
|
C19
|
B:B12703
|
3.6
|
18.2
|
1.0
|
|
C4
|
B:B12703
|
3.6
|
19.5
|
1.0
|
|
C05
|
B:QSH705
|
3.7
|
22.6
|
0.4
|
|
C9
|
B:B12703
|
3.8
|
19.1
|
1.0
|
|
C16
|
B:B12703
|
3.8
|
18.5
|
1.0
|
|
C11
|
B:B12703
|
3.9
|
18.7
|
1.0
|
|
C5
|
B:B12703
|
3.9
|
19.6
|
1.0
|
|
C1
|
B:B12703
|
3.9
|
18.9
|
1.0
|
|
C14
|
B:B12703
|
3.9
|
18.4
|
1.0
|
|
C05
|
B:QSB706
|
3.9
|
25.5
|
0.3
|
|
C37
|
B:B12703
|
4.0
|
21.3
|
1.0
|
|
C03
|
B:QSB706
|
4.1
|
25.6
|
0.3
|
|
C10
|
B:B12703
|
4.1
|
19.6
|
1.0
|
|
CE2
|
B:PHE291
|
4.1
|
20.6
|
1.0
|
|
O10
|
B:QSB706
|
4.1
|
23.8
|
0.3
|
|
C15
|
B:B12703
|
4.2
|
18.1
|
1.0
|
|
CZ
|
B:ARG552
|
4.3
|
25.6
|
1.0
|
|
C7
|
B:B12703
|
4.4
|
19.6
|
1.0
|
|
C26
|
B:B12703
|
4.4
|
17.8
|
1.0
|
|
C54
|
B:B12703
|
4.6
|
17.4
|
1.0
|
|
C2
|
B:B12703
|
4.7
|
18.6
|
1.0
|
|
C38
|
B:B12703
|
4.7
|
22.6
|
1.0
|
|
C17
|
B:B12703
|
4.8
|
18.1
|
1.0
|
|
CZ
|
B:PHE291
|
4.8
|
20.6
|
1.0
|
|
O
|
B:HOH855
|
4.8
|
29.4
|
1.0
|
|
CE
|
B:LYS488
|
4.8
|
17.1
|
1.0
|
|
C3
|
B:B12703
|
4.8
|
19.6
|
1.0
|
|
O39
|
B:B12703
|
4.8
|
23.0
|
1.0
|
|
C8
|
B:B12703
|
4.8
|
19.0
|
1.0
|
|
C02
|
B:QSH705
|
4.8
|
22.5
|
0.4
|
|
C18
|
B:B12703
|
4.8
|
18.6
|
1.0
|
|
CZ
|
B:TYR426
|
4.9
|
24.9
|
0.5
|
|
CZ
|
B:TYR426
|
4.9
|
25.3
|
0.5
|
|
Bromine binding site 9 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 9 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br805
b:27.9
occ:0.40
|
BR1
|
C:QSH805
|
0.0
|
27.9
|
0.4
|
|
BR1
|
C:QSB806
|
1.0
|
36.1
|
0.3
|
|
C02
|
C:QSB806
|
1.2
|
32.0
|
0.3
|
|
C02
|
C:QSH805
|
1.9
|
26.5
|
0.4
|
|
C03
|
C:QSB806
|
2.0
|
30.2
|
0.3
|
|
C01
|
C:QSB806
|
2.3
|
32.3
|
0.3
|
|
O10
|
C:QSB806
|
2.4
|
28.8
|
0.3
|
|
C03
|
C:QSH805
|
2.8
|
26.3
|
0.4
|
|
C01
|
C:QSH805
|
2.8
|
28.0
|
0.4
|
|
O09
|
C:QSH805
|
3.0
|
24.6
|
0.4
|
|
C04
|
C:QSB806
|
3.3
|
30.2
|
0.3
|
|
CB
|
C:SER426
|
3.4
|
31.4
|
1.0
|
|
OG
|
C:SER426
|
3.5
|
30.1
|
1.0
|
|
C06
|
C:QSB806
|
3.5
|
32.2
|
0.3
|
|
CB
|
C:PRO315
|
3.9
|
37.2
|
1.0
|
|
C05
|
C:QSB806
|
3.9
|
31.3
|
0.3
|
|
NH1
|
C:ARG556
|
3.9
|
27.9
|
1.0
|
|
O
|
C:HOH924
|
3.9
|
23.1
|
1.0
|
|
CB
|
C:ALA423
|
4.0
|
33.3
|
1.0
|
|
CA
|
C:ALA423
|
4.0
|
32.1
|
1.0
|
|
C04
|
C:QSH805
|
4.1
|
27.6
|
0.4
|
|
C06
|
C:QSH805
|
4.1
|
28.3
|
0.4
|
|
CB
|
C:ALA564
|
4.2
|
35.1
|
1.0
|
|
SD
|
C:MET427
|
4.3
|
43.5
|
1.0
|
|
CE1
|
C:PHE314
|
4.3
|
37.5
|
1.0
|
|
O
|
C:ALA423
|
4.4
|
31.8
|
1.0
|
|
C05
|
C:QSH805
|
4.6
|
28.3
|
0.4
|
|
C
|
C:ALA423
|
4.7
|
34.3
|
1.0
|
|
CA
|
C:PRO315
|
4.8
|
40.0
|
1.0
|
|
CZ
|
C:ARG556
|
4.8
|
27.4
|
1.0
|
|
C07
|
C:QSB806
|
4.8
|
33.3
|
0.3
|
|
CA
|
C:SER426
|
4.8
|
32.6
|
1.0
|
|
NH2
|
C:ARG556
|
4.9
|
27.1
|
1.0
|
|
CG
|
C:PRO315
|
4.9
|
35.6
|
1.0
|
|
CZ
|
C:PHE314
|
5.0
|
37.6
|
1.0
|
|
Bromine binding site 10 out
of 12 in 6zxx
Go back to
Bromine Binding Sites List in 6zxx
Bromine binding site 10 out
of 12 in the Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged.
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Catabolic Reductive Dehalogenase Nprdha, N-Terminally Tagged. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br805
b:29.1
occ:0.40
|
BR2
|
C:QSH805
|
0.0
|
29.1
|
0.4
|
|
BR
|
C:BR807
|
1.0
|
28.9
|
0.3
|
|
C04
|
C:QSH805
|
1.9
|
27.6
|
0.4
|
|
C04
|
C:QSB806
|
2.5
|
30.2
|
0.3
|
|
C03
|
C:QSH805
|
2.8
|
26.3
|
0.4
|
|
C05
|
C:QSH805
|
2.9
|
28.3
|
0.4
|
|
O09
|
C:QSH805
|
3.0
|
24.6
|
0.4
|
|
OH
|
C:TYR430
|
3.1
|
37.3
|
1.0
|
|
C05
|
C:QSB806
|
3.1
|
31.3
|
0.3
|
|
NH2
|
C:ARG556
|
3.2
|
27.1
|
1.0
|
|
CO
|
C:B12803
|
3.2
|
26.7
|
1.0
|
|
N24
|
C:B12803
|
3.3
|
30.0
|
1.0
|
|
NZ
|
C:LYS492
|
3.3
|
34.8
|
1.0
|
|
C03
|
C:QSB806
|
3.5
|
30.2
|
0.3
|
|
N23
|
C:B12803
|
3.7
|
29.9
|
1.0
|
|
CE2
|
C:PHE295
|
3.8
|
44.0
|
1.0
|
|
N21
|
C:B12803
|
3.8
|
28.8
|
1.0
|
|
O10
|
C:QSB806
|
3.8
|
28.8
|
0.3
|
|
C02
|
C:QSH805
|
4.1
|
26.5
|
0.4
|
|
C06
|
C:QSH805
|
4.1
|
28.3
|
0.4
|
|
C19
|
C:B12803
|
4.2
|
28.9
|
1.0
|
|
N22
|
C:B12803
|
4.2
|
28.1
|
1.0
|
|
C16
|
C:B12803
|
4.2
|
28.9
|
1.0
|
|
CZ
|
C:TYR430
|
4.3
|
34.5
|
1.0
|
|
C14
|
C:B12803
|
4.4
|
27.9
|
1.0
|
|
C06
|
C:QSB806
|
4.4
|
32.2
|
0.3
|
|
C6
|
C:B12803
|
4.4
|
26.6
|
1.0
|
|
CZ
|
C:ARG556
|
4.4
|
27.4
|
1.0
|
|
CZ
|
C:PHE295
|
4.4
|
45.1
|
1.0
|
|
C11
|
C:B12803
|
4.4
|
31.0
|
1.0
|
|
C4
|
C:B12803
|
4.4
|
26.0
|
1.0
|
|
OD1
|
C:ASN456
|
4.5
|
29.4
|
0.5
|
|
C1
|
C:B12803
|
4.5
|
29.1
|
1.0
|
|
C9
|
C:B12803
|
4.6
|
28.1
|
1.0
|
|
C37
|
C:B12803
|
4.6
|
24.5
|
1.0
|
|
O
|
C:HOH936
|
4.6
|
32.9
|
1.0
|
|
C15
|
C:B12803
|
4.6
|
28.3
|
1.0
|
|
CE2
|
C:TYR430
|
4.6
|
36.6
|
1.0
|
|
C54
|
C:B12803
|
4.6
|
29.1
|
1.0
|
|
C01
|
C:QSH805
|
4.6
|
28.0
|
0.4
|
|
C26
|
C:B12803
|
4.6
|
27.9
|
1.0
|
|
C5
|
C:B12803
|
4.7
|
24.6
|
1.0
|
|
C02
|
C:QSB806
|
4.7
|
32.0
|
0.3
|
|
CE
|
C:LYS492
|
4.7
|
34.0
|
1.0
|
|
C10
|
C:B12803
|
4.7
|
31.2
|
1.0
|
|
CD2
|
C:PHE295
|
4.7
|
39.9
|
1.0
|
|
NH1
|
C:ARG556
|
4.9
|
27.9
|
1.0
|
|
Reference:
T.Halliwell,
K.Fisher,
K.A.P.Payne,
S.E.J.Rigby,
D.Leys.
Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope. Microorganisms V. 8 2020.
ISSN: ISSN 2076-2607
PubMed: 32887524
DOI: 10.3390/MICROORGANISMS8091344
Page generated: Sat Dec 12 02:43:11 2020
|
