Iron in PDB 5m8x: Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
Protein crystallography data
The structure of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol, PDB code: 5m8x
was solved by
C.Kunze,
M.Bommer,
W.R.Hagen,
M.Uksa,
H.Dobbek,
T.Schubert,
G.Diekert,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.31 /
1.87
|
Space group
|
P 41
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.766,
73.766,
185.010,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
12.8 /
15.9
|
Other elements in 5m8x:
The structure of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Iron atom in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
(pdb code 5m8x). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol, PDB code: 5m8x:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 1 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_01.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:23.3
occ:1.00
|
FE1
|
A:SF4501
|
0.0
|
23.3
|
1.0
|
S2
|
A:SF4501
|
2.3
|
20.0
|
1.0
|
S3
|
A:SF4501
|
2.3
|
19.9
|
1.0
|
S4
|
A:SF4501
|
2.3
|
19.3
|
1.0
|
SG
|
A:CYS390
|
2.3
|
19.1
|
1.0
|
FE4
|
A:SF4501
|
2.7
|
26.0
|
1.0
|
FE3
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
FE2
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
CB
|
A:CYS390
|
3.3
|
19.8
|
1.0
|
CA
|
A:CYS390
|
3.8
|
21.0
|
1.0
|
S1
|
A:SF4501
|
3.9
|
19.8
|
1.0
|
CD1
|
A:ILE296
|
4.1
|
15.2
|
1.0
|
CD
|
A:PRO391
|
4.1
|
17.6
|
1.0
|
CE
|
A:MET292
|
4.2
|
16.5
|
1.0
|
N
|
A:PRO391
|
4.6
|
19.8
|
1.0
|
C
|
A:CYS390
|
4.6
|
19.7
|
1.0
|
CD2
|
A:PHE392
|
4.6
|
21.2
|
1.0
|
SG
|
A:CYS329
|
4.7
|
21.6
|
1.0
|
SG
|
A:CYS335
|
4.8
|
20.6
|
1.0
|
SG
|
A:CYS332
|
4.8
|
24.0
|
1.0
|
|
Iron binding site 2 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 2 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_02.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:23.5
occ:1.00
|
FE2
|
A:SF4501
|
0.0
|
23.5
|
1.0
|
SG
|
A:CYS329
|
2.3
|
21.6
|
1.0
|
S1
|
A:SF4501
|
2.3
|
19.8
|
1.0
|
S3
|
A:SF4501
|
2.3
|
19.9
|
1.0
|
S4
|
A:SF4501
|
2.3
|
19.3
|
1.0
|
FE3
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
FE1
|
A:SF4501
|
2.7
|
23.3
|
1.0
|
FE4
|
A:SF4501
|
2.7
|
26.0
|
1.0
|
CB
|
A:CYS329
|
3.3
|
22.8
|
1.0
|
CA
|
A:CYS329
|
3.6
|
18.4
|
1.0
|
S2
|
A:SF4501
|
3.9
|
20.0
|
1.0
|
CB
|
A:ARG291
|
4.1
|
17.1
|
1.0
|
N
|
A:ARG291
|
4.2
|
18.3
|
1.0
|
N
|
A:CYS329
|
4.3
|
20.3
|
1.0
|
CD1
|
A:ILE296
|
4.5
|
15.2
|
1.0
|
CB
|
A:CYS332
|
4.6
|
25.9
|
1.0
|
CB
|
A:SER290
|
4.7
|
16.2
|
1.0
|
CA
|
A:ARG291
|
4.8
|
19.2
|
1.0
|
C
|
A:CYS329
|
4.8
|
25.1
|
1.0
|
SG
|
A:CYS390
|
4.8
|
19.1
|
1.0
|
SG
|
A:CYS335
|
4.8
|
20.6
|
1.0
|
SG
|
A:CYS332
|
4.8
|
24.0
|
1.0
|
O
|
A:CYS329
|
4.9
|
22.6
|
1.0
|
|
Iron binding site 3 out
of 16 in 5m8x
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Iron Binding Sites List in 5m8x
Iron binding site 3 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_03.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:23.5
occ:1.00
|
FE3
|
A:SF4501
|
0.0
|
23.5
|
1.0
|
S4
|
A:SF4501
|
2.2
|
19.3
|
1.0
|
S2
|
A:SF4501
|
2.3
|
20.0
|
1.0
|
SG
|
A:CYS335
|
2.3
|
20.6
|
1.0
|
S1
|
A:SF4501
|
2.3
|
19.8
|
1.0
|
FE2
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
FE1
|
A:SF4501
|
2.7
|
23.3
|
1.0
|
FE4
|
A:SF4501
|
2.7
|
26.0
|
1.0
|
CB
|
A:CYS335
|
3.3
|
18.0
|
1.0
|
N
|
A:CYS335
|
3.8
|
20.1
|
1.0
|
S3
|
A:SF4501
|
3.9
|
19.9
|
1.0
|
CB
|
A:ARG291
|
4.1
|
17.1
|
1.0
|
CA
|
A:CYS335
|
4.2
|
19.4
|
1.0
|
N
|
A:MET292
|
4.4
|
19.0
|
1.0
|
CE
|
A:MET292
|
4.5
|
16.5
|
1.0
|
CD
|
A:ARG291
|
4.6
|
18.0
|
1.0
|
N
|
A:LYS334
|
4.6
|
24.9
|
1.0
|
SG
|
A:CYS329
|
4.7
|
21.6
|
1.0
|
CG
|
A:ARG291
|
4.8
|
19.9
|
1.0
|
SG
|
A:CYS332
|
4.8
|
24.0
|
1.0
|
CB
|
A:MET292
|
4.8
|
16.6
|
1.0
|
SG
|
A:CYS390
|
4.9
|
19.1
|
1.0
|
N
|
A:LYS333
|
4.9
|
30.7
|
1.0
|
CA
|
A:ARG291
|
5.0
|
19.2
|
1.0
|
C
|
A:LYS334
|
5.0
|
22.6
|
1.0
|
|
Iron binding site 4 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 4 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_04.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:26.0
occ:1.00
|
FE4
|
A:SF4501
|
0.0
|
26.0
|
1.0
|
S3
|
A:SF4501
|
2.2
|
19.9
|
1.0
|
S2
|
A:SF4501
|
2.3
|
20.0
|
1.0
|
S1
|
A:SF4501
|
2.3
|
19.8
|
1.0
|
SG
|
A:CYS332
|
2.3
|
24.0
|
1.0
|
FE1
|
A:SF4501
|
2.7
|
23.3
|
1.0
|
FE3
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
FE2
|
A:SF4501
|
2.7
|
23.5
|
1.0
|
CB
|
A:CYS332
|
3.0
|
25.9
|
1.0
|
S4
|
A:SF4501
|
3.9
|
19.3
|
1.0
|
N
|
A:LYS333
|
4.0
|
30.7
|
1.0
|
N
|
A:LYS334
|
4.1
|
24.9
|
1.0
|
CD
|
A:PRO391
|
4.1
|
17.6
|
1.0
|
CA
|
A:CYS332
|
4.3
|
26.9
|
1.0
|
C
|
A:CYS332
|
4.4
|
29.3
|
1.0
|
CB
|
A:LYS334
|
4.5
|
23.2
|
1.0
|
N
|
A:CYS335
|
4.7
|
20.1
|
1.0
|
SG
|
A:CYS390
|
4.7
|
19.1
|
1.0
|
SG
|
A:CYS335
|
4.7
|
20.6
|
1.0
|
CA
|
A:LYS333
|
4.8
|
34.4
|
1.0
|
SG
|
A:CYS329
|
4.8
|
21.6
|
1.0
|
C
|
A:LYS333
|
4.8
|
30.9
|
1.0
|
CA
|
A:LYS334
|
4.8
|
23.0
|
1.0
|
CA
|
A:CYS329
|
4.9
|
18.4
|
1.0
|
CG
|
A:PRO391
|
4.9
|
26.5
|
1.0
|
CE2
|
A:PHE412
|
4.9
|
24.7
|
1.0
|
|
Iron binding site 5 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 5 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_05.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:23.3
occ:1.00
|
FE1
|
A:SF4502
|
0.0
|
23.3
|
1.0
|
SG
|
A:CYS383
|
2.2
|
20.2
|
1.0
|
S2
|
A:SF4502
|
2.3
|
19.7
|
1.0
|
S4
|
A:SF4502
|
2.3
|
18.9
|
1.0
|
S3
|
A:SF4502
|
2.3
|
18.0
|
1.0
|
FE4
|
A:SF4502
|
2.7
|
23.4
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
23.1
|
1.0
|
FE2
|
A:SF4502
|
2.7
|
21.5
|
1.0
|
CB
|
A:CYS383
|
3.2
|
16.7
|
1.0
|
S1
|
A:SF4502
|
3.8
|
20.5
|
1.0
|
CD
|
A:PRO340
|
4.0
|
23.6
|
1.0
|
N
|
A:GLY384
|
4.0
|
19.5
|
1.0
|
N
|
A:VAL385
|
4.2
|
17.3
|
1.0
|
CA
|
A:CYS383
|
4.5
|
17.7
|
1.0
|
CB
|
A:VAL385
|
4.5
|
19.3
|
1.0
|
SG
|
A:CYS386
|
4.6
|
18.6
|
1.0
|
CD2
|
A:TYR375
|
4.7
|
22.1
|
1.0
|
SG
|
A:CYS339
|
4.7
|
20.7
|
1.0
|
SG
|
A:CYS372
|
4.7
|
20.5
|
1.0
|
C
|
A:CYS383
|
4.7
|
20.3
|
1.0
|
N
|
A:CYS386
|
4.7
|
18.5
|
1.0
|
CG
|
A:PRO340
|
4.8
|
28.3
|
1.0
|
CA
|
A:GLY384
|
4.8
|
16.7
|
1.0
|
CA
|
A:VAL385
|
4.9
|
17.8
|
1.0
|
C
|
A:GLY384
|
4.9
|
19.4
|
1.0
|
CG2
|
A:VAL385
|
5.0
|
25.5
|
1.0
|
|
Iron binding site 6 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 6 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_06.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:21.5
occ:1.00
|
FE2
|
A:SF4502
|
0.0
|
21.5
|
1.0
|
S1
|
A:SF4502
|
2.3
|
20.5
|
1.0
|
SG
|
A:CYS386
|
2.3
|
18.6
|
1.0
|
S4
|
A:SF4502
|
2.3
|
18.9
|
1.0
|
S3
|
A:SF4502
|
2.3
|
18.0
|
1.0
|
FE4
|
A:SF4502
|
2.7
|
23.4
|
1.0
|
FE1
|
A:SF4502
|
2.7
|
23.3
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
23.1
|
1.0
|
CB
|
A:CYS386
|
3.2
|
16.4
|
1.0
|
N
|
A:CYS386
|
3.9
|
18.5
|
1.0
|
S2
|
A:SF4502
|
3.9
|
19.7
|
1.0
|
C42
|
A:BVQ503
|
4.1
|
28.2
|
1.0
|
N45
|
A:BVQ503
|
4.1
|
22.9
|
1.0
|
CA
|
A:CYS386
|
4.2
|
18.4
|
1.0
|
C41
|
A:BVQ503
|
4.2
|
19.6
|
1.0
|
CD1
|
A:ILE344
|
4.4
|
21.7
|
1.0
|
C43
|
A:BVQ503
|
4.5
|
31.6
|
1.0
|
SG
|
A:CYS383
|
4.6
|
20.2
|
1.0
|
N
|
A:VAL385
|
4.7
|
17.3
|
1.0
|
SG
|
A:CYS372
|
4.7
|
20.5
|
1.0
|
SG
|
A:CYS339
|
4.9
|
20.7
|
1.0
|
N
|
A:GLY384
|
4.9
|
19.5
|
1.0
|
C8
|
A:BVQ503
|
4.9
|
16.8
|
1.0
|
C
|
A:GLY384
|
5.0
|
19.4
|
1.0
|
|
Iron binding site 7 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 7 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_07.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:23.1
occ:1.00
|
FE3
|
A:SF4502
|
0.0
|
23.1
|
1.0
|
S4
|
A:SF4502
|
2.2
|
18.9
|
1.0
|
S1
|
A:SF4502
|
2.3
|
20.5
|
1.0
|
SG
|
A:CYS339
|
2.3
|
20.7
|
1.0
|
S2
|
A:SF4502
|
2.3
|
19.7
|
1.0
|
FE1
|
A:SF4502
|
2.7
|
23.3
|
1.0
|
FE4
|
A:SF4502
|
2.7
|
23.4
|
1.0
|
FE2
|
A:SF4502
|
2.7
|
21.5
|
1.0
|
CB
|
A:CYS339
|
3.3
|
24.5
|
1.0
|
CA
|
A:CYS339
|
3.8
|
22.2
|
1.0
|
S3
|
A:SF4502
|
3.9
|
18.0
|
1.0
|
OG
|
A:SER341
|
4.0
|
23.7
|
1.0
|
CD
|
A:PRO340
|
4.1
|
23.6
|
1.0
|
C
|
A:CYS339
|
4.4
|
23.7
|
1.0
|
N
|
A:PRO340
|
4.4
|
20.5
|
1.0
|
CB
|
A:ALA343
|
4.5
|
19.1
|
1.0
|
CD1
|
A:ILE344
|
4.5
|
21.7
|
1.0
|
SG
|
A:CYS383
|
4.7
|
20.2
|
1.0
|
SG
|
A:CYS372
|
4.8
|
20.5
|
1.0
|
N
|
A:SER341
|
4.8
|
21.6
|
1.0
|
CG1
|
A:ILE344
|
4.8
|
21.8
|
1.0
|
SG
|
A:CYS386
|
4.8
|
18.6
|
1.0
|
N
|
A:ALA343
|
5.0
|
25.2
|
1.0
|
CB
|
A:CYS372
|
5.0
|
19.9
|
1.0
|
|
Iron binding site 8 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 8 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_08.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:23.4
occ:1.00
|
FE4
|
A:SF4502
|
0.0
|
23.4
|
1.0
|
S3
|
A:SF4502
|
2.2
|
18.0
|
1.0
|
SG
|
A:CYS372
|
2.3
|
20.5
|
1.0
|
S2
|
A:SF4502
|
2.3
|
19.7
|
1.0
|
S1
|
A:SF4502
|
2.3
|
20.5
|
1.0
|
FE1
|
A:SF4502
|
2.7
|
23.3
|
1.0
|
FE2
|
A:SF4502
|
2.7
|
21.5
|
1.0
|
FE3
|
A:SF4502
|
2.7
|
23.1
|
1.0
|
CB
|
A:CYS372
|
3.2
|
19.9
|
1.0
|
CA
|
A:CYS372
|
3.8
|
18.7
|
1.0
|
S4
|
A:SF4502
|
3.8
|
18.9
|
1.0
|
C42
|
A:BVQ503
|
4.2
|
28.2
|
1.0
|
NE1
|
A:TRP376
|
4.3
|
20.9
|
1.0
|
C
|
A:CYS372
|
4.5
|
22.7
|
1.0
|
O
|
A:CYS372
|
4.5
|
20.8
|
1.0
|
SG
|
A:CYS383
|
4.6
|
20.2
|
1.0
|
C41
|
A:BVQ503
|
4.7
|
19.6
|
1.0
|
SG
|
A:CYS339
|
4.8
|
20.7
|
1.0
|
CB
|
A:CYS383
|
4.8
|
16.7
|
1.0
|
OG
|
A:SER341
|
4.8
|
23.7
|
1.0
|
SG
|
A:CYS386
|
4.8
|
18.6
|
1.0
|
N45
|
A:BVQ503
|
4.8
|
22.9
|
1.0
|
C8
|
A:BVQ503
|
4.9
|
16.8
|
1.0
|
|
Iron binding site 9 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 9 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_09.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:31.3
occ:1.00
|
FE1
|
B:SF4501
|
0.0
|
31.3
|
1.0
|
S2
|
B:SF4501
|
2.2
|
30.1
|
1.0
|
S3
|
B:SF4501
|
2.3
|
31.0
|
1.0
|
S4
|
B:SF4501
|
2.3
|
27.0
|
1.0
|
SG
|
B:CYS390
|
2.3
|
28.1
|
1.0
|
FE2
|
B:SF4501
|
2.7
|
35.0
|
1.0
|
FE4
|
B:SF4501
|
2.7
|
36.1
|
1.0
|
FE3
|
B:SF4501
|
2.7
|
32.1
|
1.0
|
CB
|
B:CYS390
|
3.3
|
29.0
|
1.0
|
CA
|
B:CYS390
|
3.8
|
23.7
|
1.0
|
S1
|
B:SF4501
|
3.9
|
29.4
|
1.0
|
CD
|
B:PRO391
|
4.0
|
28.4
|
1.0
|
CD1
|
B:ILE296
|
4.1
|
25.0
|
1.0
|
CE
|
B:MET292
|
4.1
|
22.2
|
1.0
|
CD2
|
B:PHE392
|
4.6
|
31.3
|
1.0
|
N
|
B:PRO391
|
4.6
|
29.7
|
1.0
|
SG
|
B:CYS329
|
4.6
|
29.0
|
1.0
|
C
|
B:CYS390
|
4.6
|
31.2
|
1.0
|
SG
|
B:CYS335
|
4.8
|
30.7
|
1.0
|
SG
|
B:CYS332
|
4.8
|
35.5
|
1.0
|
N
|
B:CYS390
|
5.0
|
26.3
|
1.0
|
|
Iron binding site 10 out
of 16 in 5m8x
Go back to
Iron Binding Sites List in 5m8x
Iron binding site 10 out
of 16 in the Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_10.jpg) Mono view
![](/pictures/FE/pdb/m8/5m8x-FE-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Pce Reductive Dehalogenase From S. Multivorans in Complex with 2,4,5- Trichlorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:35.0
occ:1.00
|
FE2
|
B:SF4501
|
0.0
|
35.0
|
1.0
|
SG
|
B:CYS329
|
2.2
|
29.0
|
1.0
|
S1
|
B:SF4501
|
2.3
|
29.4
|
1.0
|
S3
|
B:SF4501
|
2.3
|
31.0
|
1.0
|
S4
|
B:SF4501
|
2.3
|
27.0
|
1.0
|
FE3
|
B:SF4501
|
2.7
|
32.1
|
1.0
|
FE4
|
B:SF4501
|
2.7
|
36.1
|
1.0
|
FE1
|
B:SF4501
|
2.7
|
31.3
|
1.0
|
CB
|
B:CYS329
|
3.3
|
30.5
|
1.0
|
CA
|
B:CYS329
|
3.7
|
28.6
|
1.0
|
S2
|
B:SF4501
|
3.8
|
30.1
|
1.0
|
CB
|
B:ARG291
|
4.1
|
32.2
|
1.0
|
N
|
B:ARG291
|
4.2
|
29.9
|
1.0
|
N
|
B:CYS329
|
4.4
|
34.4
|
1.0
|
CD1
|
B:ILE296
|
4.6
|
25.0
|
1.0
|
CB
|
B:CYS332
|
4.6
|
34.5
|
1.0
|
CB
|
B:SER290
|
4.7
|
25.9
|
1.0
|
CA
|
B:ARG291
|
4.7
|
33.5
|
1.0
|
SG
|
B:CYS390
|
4.8
|
28.1
|
1.0
|
SG
|
B:CYS335
|
4.8
|
30.7
|
1.0
|
SG
|
B:CYS332
|
4.8
|
35.5
|
1.0
|
C
|
B:CYS329
|
4.8
|
32.5
|
1.0
|
O
|
B:CYS329
|
4.9
|
39.9
|
1.0
|
|
Reference:
C.Kunze,
M.Bommer,
W.R.Hagen,
M.Uksa,
H.Dobbek,
T.Schubert,
G.Diekert.
Cobamide-Mediated Enzymatic Reductive Dehalogenation Via Long-Range Electron Transfer. Nat Commun V. 8 15858 2017.
ISSN: ESSN 2041-1723
PubMed: 28671181
DOI: 10.1038/NCOMMS15858
Page generated: Tue Aug 6 05:18:46 2024
|