Iron in PDB 6hr0: Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
Protein crystallography data
The structure of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins, PDB code: 6hr0
was solved by
I.B.Trindade,
E.Moe,
P.Matias,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
26.27 /
1.04
|
|
Space group
|
P 43 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.171,
66.171,
43.236,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.3 /
17.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
(pdb code 6hr0). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Optimizing Electroactive Organisms: the Effect of Orthologous Proteins, PDB code: 6hr0:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 6hr0
Go back to
Iron Binding Sites List in 6hr0
Iron binding site 1 out
of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe101
b:8.7
occ:1.00
|
FE
|
A:HEC101
|
0.0
|
8.7
|
1.0
|
|
NC
|
A:HEC101
|
2.0
|
8.6
|
1.0
|
|
NE2
|
A:HIS62
|
2.0
|
8.5
|
1.0
|
|
NE2
|
A:HIS49
|
2.0
|
10.0
|
1.0
|
|
NA
|
A:HEC101
|
2.0
|
9.3
|
1.0
|
|
NB
|
A:HEC101
|
2.0
|
9.0
|
1.0
|
|
ND
|
A:HEC101
|
2.0
|
9.4
|
1.0
|
|
CE1
|
A:HIS62
|
3.0
|
8.9
|
1.0
|
|
CE1
|
A:HIS49
|
3.0
|
11.3
|
1.0
|
|
CD2
|
A:HIS49
|
3.0
|
10.6
|
1.0
|
|
C4C
|
A:HEC101
|
3.0
|
8.4
|
1.0
|
|
CD2
|
A:HIS62
|
3.0
|
9.1
|
1.0
|
|
C4A
|
A:HEC101
|
3.0
|
9.3
|
1.0
|
|
C1B
|
A:HEC101
|
3.0
|
9.2
|
1.0
|
|
C1D
|
A:HEC101
|
3.0
|
9.0
|
1.0
|
|
C1C
|
A:HEC101
|
3.0
|
8.4
|
1.0
|
|
C1A
|
A:HEC101
|
3.0
|
10.9
|
1.0
|
|
C4D
|
A:HEC101
|
3.0
|
10.5
|
1.0
|
|
C4B
|
A:HEC101
|
3.1
|
8.6
|
1.0
|
|
HE1
|
A:HIS62
|
3.1
|
10.7
|
1.0
|
|
HE1
|
A:HIS49
|
3.2
|
13.6
|
1.0
|
|
HD2
|
A:HIS49
|
3.2
|
12.7
|
1.0
|
|
HD2
|
A:HIS62
|
3.2
|
11.0
|
1.0
|
|
CHD
|
A:HEC101
|
3.4
|
8.8
|
1.0
|
|
CHB
|
A:HEC101
|
3.4
|
9.3
|
1.0
|
|
CHC
|
A:HEC101
|
3.4
|
8.5
|
1.0
|
|
CHA
|
A:HEC101
|
3.5
|
11.8
|
1.0
|
|
ND1
|
A:HIS62
|
4.1
|
9.5
|
1.0
|
|
ND1
|
A:HIS49
|
4.1
|
11.7
|
1.0
|
|
HE1
|
A:MET45
|
4.1
|
17.8
|
1.0
|
|
CG
|
A:HIS49
|
4.1
|
11.1
|
1.0
|
|
CG
|
A:HIS62
|
4.1
|
9.1
|
1.0
|
|
C3C
|
A:HEC101
|
4.2
|
8.6
|
1.0
|
|
C2D
|
A:HEC101
|
4.2
|
10.3
|
1.0
|
|
C3A
|
A:HEC101
|
4.2
|
10.1
|
1.0
|
|
C2C
|
A:HEC101
|
4.2
|
9.1
|
1.0
|
|
C3D
|
A:HEC101
|
4.3
|
11.9
|
1.0
|
|
C2B
|
A:HEC101
|
4.3
|
9.5
|
1.0
|
|
C2A
|
A:HEC101
|
4.3
|
12.1
|
1.0
|
|
C3B
|
A:HEC101
|
4.3
|
9.1
|
1.0
|
|
HMA1
|
A:HEC104
|
4.4
|
11.3
|
1.0
|
|
HHD
|
A:HEC101
|
4.5
|
10.6
|
1.0
|
|
HHB
|
A:HEC101
|
4.5
|
11.2
|
1.0
|
|
HG2
|
A:PRO73
|
4.5
|
13.6
|
1.0
|
|
HHC
|
A:HEC101
|
4.5
|
10.2
|
1.0
|
|
HHA
|
A:HEC101
|
4.5
|
14.2
|
1.0
|
|
HE2
|
A:MET45
|
4.7
|
17.8
|
1.0
|
|
CE
|
A:MET45
|
4.8
|
14.8
|
1.0
|
|
HD1
|
A:HIS62
|
4.9
|
11.4
|
1.0
|
|
HD1
|
A:HIS49
|
4.9
|
14.0
|
1.0
|
|
Iron binding site 2 out
of 4 in 6hr0
Go back to
Iron Binding Sites List in 6hr0
Iron binding site 2 out
of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe102
b:7.9
occ:1.00
|
FE
|
A:HEC102
|
0.0
|
7.9
|
1.0
|
|
NA
|
A:HEC102
|
2.0
|
8.6
|
1.0
|
|
NE2
|
A:HIS52
|
2.0
|
8.3
|
1.0
|
|
NC
|
A:HEC102
|
2.0
|
8.0
|
1.0
|
|
NE2
|
A:HIS79
|
2.0
|
8.1
|
1.0
|
|
ND
|
A:HEC102
|
2.0
|
8.1
|
1.0
|
|
NB
|
A:HEC102
|
2.0
|
8.1
|
1.0
|
|
CE1
|
A:HIS79
|
3.0
|
8.1
|
1.0
|
|
CE1
|
A:HIS52
|
3.0
|
8.9
|
1.0
|
|
C1C
|
A:HEC102
|
3.0
|
7.8
|
1.0
|
|
C4C
|
A:HEC102
|
3.0
|
8.3
|
1.0
|
|
C4A
|
A:HEC102
|
3.0
|
8.3
|
1.0
|
|
C1A
|
A:HEC102
|
3.0
|
9.2
|
1.0
|
|
CD2
|
A:HIS79
|
3.0
|
7.9
|
1.0
|
|
CD2
|
A:HIS52
|
3.0
|
8.9
|
1.0
|
|
C1D
|
A:HEC102
|
3.0
|
8.7
|
1.0
|
|
C4D
|
A:HEC102
|
3.0
|
8.5
|
1.0
|
|
C1B
|
A:HEC102
|
3.0
|
8.4
|
1.0
|
|
C4B
|
A:HEC102
|
3.0
|
8.1
|
1.0
|
|
HE1
|
A:HIS79
|
3.2
|
9.7
|
1.0
|
|
HE1
|
A:HIS52
|
3.2
|
10.7
|
1.0
|
|
HD2
|
A:HIS79
|
3.2
|
9.5
|
1.0
|
|
HD2
|
A:HIS52
|
3.2
|
10.6
|
1.0
|
|
CHA
|
A:HEC102
|
3.4
|
9.1
|
1.0
|
|
CHB
|
A:HEC102
|
3.4
|
8.8
|
1.0
|
|
CHC
|
A:HEC102
|
3.4
|
8.2
|
1.0
|
|
CHD
|
A:HEC102
|
3.4
|
8.7
|
1.0
|
|
ND1
|
A:HIS52
|
4.1
|
10.3
|
1.0
|
|
ND1
|
A:HIS79
|
4.1
|
7.9
|
1.0
|
|
HBC1
|
A:HEC101
|
4.1
|
11.2
|
1.0
|
|
CG
|
A:HIS79
|
4.2
|
7.8
|
1.0
|
|
CG
|
A:HIS52
|
4.2
|
9.8
|
1.0
|
|
C3A
|
A:HEC102
|
4.2
|
9.5
|
1.0
|
|
C2A
|
A:HEC102
|
4.2
|
9.5
|
1.0
|
|
C3C
|
A:HEC102
|
4.2
|
8.8
|
1.0
|
|
C2D
|
A:HEC102
|
4.2
|
9.3
|
1.0
|
|
C2C
|
A:HEC102
|
4.2
|
8.4
|
1.0
|
|
C3B
|
A:HEC102
|
4.3
|
8.4
|
1.0
|
|
C2B
|
A:HEC102
|
4.3
|
9.1
|
1.0
|
|
C3D
|
A:HEC102
|
4.3
|
9.4
|
1.0
|
|
HH11
|
A:ARG83
|
4.4
|
11.2
|
1.0
|
|
HD2
|
A:ARG83
|
4.4
|
11.1
|
1.0
|
|
HHA
|
A:HEC102
|
4.5
|
10.9
|
1.0
|
|
HHC
|
A:HEC102
|
4.5
|
9.8
|
1.0
|
|
HHB
|
A:HEC102
|
4.5
|
10.6
|
1.0
|
|
HHD
|
A:HEC102
|
4.5
|
10.4
|
1.0
|
|
HD11
|
A:LEU56
|
4.5
|
12.3
|
1.0
|
|
HBC2
|
A:HEC101
|
4.9
|
11.2
|
1.0
|
|
CBC
|
A:HEC101
|
4.9
|
9.3
|
1.0
|
|
HD1
|
A:HIS52
|
4.9
|
12.4
|
1.0
|
|
HD1
|
A:HIS79
|
4.9
|
9.4
|
1.0
|
|
NH1
|
A:ARG83
|
5.0
|
9.3
|
1.0
|
|
HBC3
|
A:HEC101
|
5.0
|
11.2
|
1.0
|
|
HB2
|
A:CYS78
|
5.0
|
10.8
|
1.0
|
|
Iron binding site 3 out
of 4 in 6hr0
Go back to
Iron Binding Sites List in 6hr0
Iron binding site 3 out
of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe103
b:13.9
occ:1.00
|
FE
|
A:HEC103
|
0.0
|
13.9
|
1.0
|
|
NA
|
A:HEC103
|
2.0
|
14.7
|
1.0
|
|
NE2
|
A:HIS19
|
2.0
|
14.6
|
1.0
|
|
ND
|
A:HEC103
|
2.0
|
13.3
|
1.0
|
|
NB
|
A:HEC103
|
2.0
|
15.2
|
1.0
|
|
NC
|
A:HEC103
|
2.0
|
13.2
|
1.0
|
|
NE2
|
A:HIS65
|
2.0
|
13.7
|
1.0
|
|
CE1
|
A:HIS65
|
3.0
|
14.3
|
1.0
|
|
C4A
|
A:HEC103
|
3.0
|
15.3
|
1.0
|
|
CE1
|
A:HIS19
|
3.0
|
15.7
|
1.0
|
|
CD2
|
A:HIS19
|
3.0
|
15.6
|
1.0
|
|
C1C
|
A:HEC103
|
3.0
|
13.7
|
1.0
|
|
C4C
|
A:HEC103
|
3.0
|
12.0
|
1.0
|
|
C4B
|
A:HEC103
|
3.0
|
16.6
|
1.0
|
|
C1B
|
A:HEC103
|
3.0
|
16.7
|
1.0
|
|
C1A
|
A:HEC103
|
3.0
|
15.0
|
1.0
|
|
C1D
|
A:HEC103
|
3.0
|
12.8
|
1.0
|
|
CD2
|
A:HIS65
|
3.0
|
14.1
|
1.0
|
|
C4D
|
A:HEC103
|
3.0
|
13.9
|
1.0
|
|
HE1
|
A:HIS65
|
3.2
|
17.2
|
1.0
|
|
HD2
|
A:HIS19
|
3.2
|
18.7
|
1.0
|
|
HE1
|
A:HIS19
|
3.2
|
18.8
|
1.0
|
|
HD2
|
A:HIS65
|
3.2
|
16.9
|
1.0
|
|
CHB
|
A:HEC103
|
3.4
|
16.4
|
1.0
|
|
CHC
|
A:HEC103
|
3.4
|
15.7
|
1.0
|
|
CHD
|
A:HEC103
|
3.4
|
12.1
|
1.0
|
|
CHA
|
A:HEC103
|
3.4
|
14.9
|
1.0
|
|
ND1
|
A:HIS65
|
4.1
|
14.4
|
1.0
|
|
ND1
|
A:HIS19
|
4.1
|
15.9
|
1.0
|
|
CG
|
A:HIS19
|
4.1
|
16.1
|
1.0
|
|
CG
|
A:HIS65
|
4.2
|
13.4
|
1.0
|
|
C3A
|
A:HEC103
|
4.2
|
16.4
|
1.0
|
|
C2A
|
A:HEC103
|
4.2
|
16.6
|
1.0
|
|
C2C
|
A:HEC103
|
4.2
|
13.5
|
1.0
|
|
C3B
|
A:HEC103
|
4.2
|
18.7
|
1.0
|
|
C3C
|
A:HEC103
|
4.2
|
12.5
|
1.0
|
|
C2B
|
A:HEC103
|
4.2
|
18.3
|
1.0
|
|
C2D
|
A:HEC103
|
4.3
|
13.0
|
1.0
|
|
C3D
|
A:HEC103
|
4.3
|
13.7
|
1.0
|
|
HHB
|
A:HEC103
|
4.5
|
19.7
|
1.0
|
|
HHC
|
A:HEC103
|
4.5
|
18.8
|
1.0
|
|
HHD
|
A:HEC103
|
4.5
|
14.6
|
1.0
|
|
HHA
|
A:HEC103
|
4.5
|
17.9
|
1.0
|
|
HB2
|
A:SER6
|
4.6
|
15.1
|
1.0
|
|
HB3
|
A:PRO24
|
4.6
|
27.1
|
1.0
|
|
HB3
|
A:SER6
|
4.8
|
15.1
|
1.0
|
|
HD1
|
A:HIS65
|
4.9
|
17.2
|
1.0
|
|
HD1
|
A:HIS19
|
4.9
|
19.1
|
1.0
|
|
HB2
|
A:PRO64
|
5.0
|
14.5
|
1.0
|
|
HB2
|
A:CYS18
|
5.0
|
17.3
|
1.0
|
|
Iron binding site 4 out
of 4 in 6hr0
Go back to
Iron Binding Sites List in 6hr0
Iron binding site 4 out
of 4 in the Optimizing Electroactive Organisms: the Effect of Orthologous Proteins
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Optimizing Electroactive Organisms: the Effect of Orthologous Proteins within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe104
b:8.1
occ:1.00
|
FE
|
A:HEC104
|
0.0
|
8.1
|
1.0
|
|
NE2
|
A:HIS39
|
2.0
|
8.3
|
1.0
|
|
NC
|
A:HEC104
|
2.0
|
9.0
|
1.0
|
|
ND
|
A:HEC104
|
2.0
|
8.2
|
1.0
|
|
NB
|
A:HEC104
|
2.0
|
8.6
|
1.0
|
|
NE2
|
A:HIS9
|
2.0
|
9.0
|
1.0
|
|
NA
|
A:HEC104
|
2.0
|
8.5
|
1.0
|
|
CE1
|
A:HIS39
|
2.9
|
8.5
|
1.0
|
|
CE1
|
A:HIS9
|
3.0
|
8.8
|
1.0
|
|
C1D
|
A:HEC104
|
3.0
|
8.7
|
1.0
|
|
C1B
|
A:HEC104
|
3.0
|
8.5
|
1.0
|
|
C4B
|
A:HEC104
|
3.0
|
9.0
|
1.0
|
|
C4D
|
A:HEC104
|
3.0
|
8.5
|
1.0
|
|
C4A
|
A:HEC104
|
3.0
|
8.4
|
1.0
|
|
C4C
|
A:HEC104
|
3.0
|
9.1
|
1.0
|
|
C1C
|
A:HEC104
|
3.0
|
9.1
|
1.0
|
|
C1A
|
A:HEC104
|
3.0
|
8.4
|
1.0
|
|
CD2
|
A:HIS39
|
3.1
|
8.8
|
1.0
|
|
CD2
|
A:HIS9
|
3.1
|
9.1
|
1.0
|
|
HE1
|
A:HIS39
|
3.1
|
10.2
|
1.0
|
|
HE1
|
A:HIS9
|
3.1
|
10.5
|
1.0
|
|
HD2
|
A:HIS9
|
3.3
|
10.9
|
1.0
|
|
HD2
|
A:HIS39
|
3.3
|
10.5
|
1.0
|
|
CHB
|
A:HEC104
|
3.4
|
8.8
|
1.0
|
|
CHC
|
A:HEC104
|
3.4
|
9.6
|
1.0
|
|
CHD
|
A:HEC104
|
3.4
|
9.8
|
1.0
|
|
CHA
|
A:HEC104
|
3.4
|
8.8
|
1.0
|
|
ND1
|
A:HIS39
|
4.1
|
8.3
|
1.0
|
|
ND1
|
A:HIS9
|
4.1
|
9.6
|
1.0
|
|
CG
|
A:HIS39
|
4.2
|
9.1
|
1.0
|
|
CG
|
A:HIS9
|
4.2
|
9.5
|
1.0
|
|
C2D
|
A:HEC104
|
4.2
|
9.4
|
1.0
|
|
C2C
|
A:HEC104
|
4.2
|
10.0
|
1.0
|
|
C3B
|
A:HEC104
|
4.2
|
9.5
|
1.0
|
|
C2B
|
A:HEC104
|
4.2
|
9.2
|
1.0
|
|
C3D
|
A:HEC104
|
4.2
|
9.0
|
1.0
|
|
C3C
|
A:HEC104
|
4.3
|
9.6
|
1.0
|
|
C3A
|
A:HEC104
|
4.3
|
8.8
|
1.0
|
|
C2A
|
A:HEC104
|
4.3
|
8.8
|
1.0
|
|
HHB
|
A:HEC104
|
4.5
|
10.5
|
1.0
|
|
HHC
|
A:HEC104
|
4.5
|
11.5
|
1.0
|
|
HHD
|
A:HEC104
|
4.5
|
11.8
|
1.0
|
|
HHA
|
A:HEC104
|
4.5
|
10.5
|
1.0
|
|
HBC1
|
A:HEC103
|
4.7
|
13.9
|
1.0
|
|
HE1
|
A:MET12
|
4.8
|
15.1
|
1.0
|
|
HMB1
|
A:HEC101
|
4.8
|
12.9
|
1.0
|
|
HD1
|
A:HIS39
|
4.8
|
9.9
|
1.0
|
|
HB2
|
A:CYS38
|
4.9
|
13.0
|
1.0
|
|
HD1
|
A:HIS9
|
4.9
|
11.6
|
1.0
|
|
HD11
|
A:LEU5
|
4.9
|
11.4
|
1.0
|
|
Reference:
B.M.Fonseca,
L.Silva,
I.B.Trindade,
E.Moe,
P.M.Matias,
R.O.Louro,
C.M.Paquete.
Optimizing Electroactive Organisms: the Effect of Orthologous Proteins Frontiers in Energy Research 2019.
ISSN: ISSN 2296-598X
DOI: 10.3389/FENRG.2019.00002
Page generated: Tue Aug 6 21:45:24 2024
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