Iron in PDB 4fh6: Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso
Protein crystallography data
The structure of Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso, PDB code: 4fh6
was solved by
V.S.De Serrano,
S.Franzen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.00 /
1.44
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
57.634,
67.246,
69.000,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.3 /
23.3
|
Other elements in 4fh6:
The structure of Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso
(pdb code 4fh6). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso, PDB code: 4fh6:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 4fh6
Go back to
Iron Binding Sites List in 4fh6
Iron binding site 1 out
of 2 in the Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:8.6
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
8.6
|
1.0
|
NC
|
A:HEM201
|
2.0
|
8.5
|
1.0
|
NA
|
A:HEM201
|
2.0
|
9.5
|
1.0
|
NB
|
A:HEM201
|
2.1
|
7.6
|
1.0
|
NE2
|
A:HIS89
|
2.1
|
8.4
|
1.0
|
ND
|
A:HEM201
|
2.1
|
9.7
|
1.0
|
O1
|
A:OXY204
|
2.5
|
12.7
|
0.7
|
CE1
|
A:HIS89
|
3.1
|
8.3
|
1.0
|
C4A
|
A:HEM201
|
3.1
|
8.8
|
1.0
|
C1C
|
A:HEM201
|
3.1
|
7.7
|
1.0
|
C4C
|
A:HEM201
|
3.1
|
8.6
|
1.0
|
CD2
|
A:HIS89
|
3.1
|
9.2
|
1.0
|
C1A
|
A:HEM201
|
3.1
|
10.4
|
1.0
|
C4B
|
A:HEM201
|
3.1
|
7.0
|
1.0
|
C1B
|
A:HEM201
|
3.1
|
7.8
|
1.0
|
C1D
|
A:HEM201
|
3.1
|
10.3
|
1.0
|
C4D
|
A:HEM201
|
3.2
|
11.0
|
1.0
|
O2
|
A:OXY204
|
3.4
|
17.0
|
0.7
|
CHC
|
A:HEM201
|
3.5
|
7.2
|
1.0
|
CHB
|
A:HEM201
|
3.5
|
8.0
|
1.0
|
CHD
|
A:HEM201
|
3.5
|
9.5
|
1.0
|
CHA
|
A:HEM201
|
3.6
|
10.7
|
1.0
|
O1
|
A:TBP203
|
3.7
|
9.9
|
0.1
|
ND1
|
A:HIS89
|
4.2
|
9.5
|
1.0
|
CG
|
A:HIS89
|
4.3
|
9.1
|
1.0
|
C3C
|
A:HEM201
|
4.3
|
9.4
|
1.0
|
C2A
|
A:HEM201
|
4.4
|
11.9
|
1.0
|
C3A
|
A:HEM201
|
4.4
|
10.1
|
1.0
|
C2C
|
A:HEM201
|
4.4
|
8.9
|
1.0
|
C3B
|
A:HEM201
|
4.4
|
7.5
|
1.0
|
C2B
|
A:HEM201
|
4.4
|
7.9
|
1.0
|
CG2
|
A:VAL59
|
4.4
|
9.4
|
1.0
|
C2D
|
A:HEM201
|
4.4
|
12.4
|
1.0
|
C3D
|
A:HEM201
|
4.5
|
12.6
|
1.0
|
CE
|
A:MET86
|
4.7
|
13.5
|
1.0
|
CE1
|
A:HIS55
|
4.8
|
15.0
|
0.7
|
BR2
|
A:TBP203
|
4.8
|
12.0
|
0.1
|
CG1
|
A:VAL59
|
4.9
|
8.0
|
1.0
|
C1
|
A:TBP203
|
5.0
|
11.9
|
0.1
|
|
Iron binding site 2 out
of 2 in 4fh6
Go back to
Iron Binding Sites List in 4fh6
Iron binding site 2 out
of 2 in the Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Dhp A in Complex with 2,4,6-Tribromophenol in 10% Dmso within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:6.9
occ:1.00
|
FE
|
B:HEM201
|
0.0
|
6.9
|
1.0
|
NC
|
B:HEM201
|
2.0
|
8.3
|
1.0
|
NA
|
B:HEM201
|
2.0
|
7.2
|
1.0
|
NB
|
B:HEM201
|
2.1
|
6.2
|
1.0
|
ND
|
B:HEM201
|
2.1
|
8.0
|
1.0
|
NE2
|
B:HIS89
|
2.1
|
7.3
|
1.0
|
O1
|
B:OXY205
|
2.4
|
11.4
|
0.6
|
C4C
|
B:HEM201
|
3.0
|
8.9
|
1.0
|
C1D
|
B:HEM201
|
3.1
|
8.5
|
1.0
|
C1C
|
B:HEM201
|
3.1
|
7.8
|
1.0
|
CE1
|
B:HIS89
|
3.1
|
7.0
|
1.0
|
C4A
|
B:HEM201
|
3.1
|
6.3
|
1.0
|
CD2
|
B:HIS89
|
3.1
|
8.1
|
1.0
|
C4B
|
B:HEM201
|
3.1
|
6.4
|
1.0
|
C1A
|
B:HEM201
|
3.1
|
8.3
|
1.0
|
C1B
|
B:HEM201
|
3.1
|
6.4
|
1.0
|
C4D
|
B:HEM201
|
3.1
|
9.1
|
1.0
|
O2
|
B:OXY205
|
3.4
|
15.0
|
0.6
|
CHD
|
B:HEM201
|
3.4
|
9.2
|
1.0
|
CHC
|
B:HEM201
|
3.5
|
7.3
|
1.0
|
CHB
|
B:HEM201
|
3.5
|
6.7
|
1.0
|
CHA
|
B:HEM201
|
3.5
|
9.6
|
1.0
|
O1
|
B:TBP203
|
4.1
|
8.2
|
0.1
|
ND1
|
B:HIS89
|
4.2
|
7.1
|
1.0
|
CG
|
B:HIS89
|
4.3
|
7.5
|
1.0
|
C3C
|
B:HEM201
|
4.3
|
9.3
|
1.0
|
CG2
|
B:VAL59
|
4.3
|
6.1
|
1.0
|
C2C
|
B:HEM201
|
4.4
|
8.8
|
1.0
|
C3A
|
B:HEM201
|
4.4
|
7.3
|
1.0
|
C2A
|
B:HEM201
|
4.4
|
8.8
|
1.0
|
C2D
|
B:HEM201
|
4.4
|
9.9
|
1.0
|
C3B
|
B:HEM201
|
4.4
|
6.3
|
1.0
|
C2B
|
B:HEM201
|
4.4
|
6.0
|
1.0
|
C3D
|
B:HEM201
|
4.4
|
11.3
|
1.0
|
CE
|
B:MET86
|
4.7
|
10.9
|
1.0
|
C1
|
B:TBP203
|
4.8
|
8.9
|
0.1
|
BR6
|
B:TBP203
|
4.8
|
11.6
|
0.1
|
NE2
|
B:HIS55
|
4.9
|
12.1
|
0.6
|
CG1
|
B:VAL59
|
5.0
|
5.2
|
1.0
|
|
Reference:
J.Zhao,
V.De Serrano,
J.Zhao,
P.Le,
S.Franzen.
Structural and Kinetic Study of An Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata. Biochemistry V. 52 2427 2013.
ISSN: ISSN 0006-2960
PubMed: 23480178
DOI: 10.1021/BI301307F
Page generated: Sun Dec 13 15:34:19 2020
|