Iron in PDB 4hrt: Scapharca Tetrameric Hemoglobin, Unliganded
Protein crystallography data
The structure of Scapharca Tetrameric Hemoglobin, Unliganded, PDB code: 4hrt
was solved by
W.E.Royer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
30.32 /
1.46
|
|
Space group
|
P 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.353,
100.958,
127.165,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
13.3 /
17.5
|
Iron Binding Sites:
The binding sites of Iron atom in the Scapharca Tetrameric Hemoglobin, Unliganded
(pdb code 4hrt). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Scapharca Tetrameric Hemoglobin, Unliganded, PDB code: 4hrt:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 1 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:8.9
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
8.9
|
1.0
|
|
ND
|
A:HEM201
|
1.9
|
8.7
|
1.0
|
|
NA
|
A:HEM201
|
2.0
|
8.9
|
1.0
|
|
NB
|
A:HEM201
|
2.1
|
9.0
|
1.0
|
|
NC
|
A:HEM201
|
2.1
|
9.9
|
1.0
|
|
NE2
|
A:HIS101
|
2.4
|
7.7
|
1.0
|
|
C4D
|
A:HEM201
|
3.0
|
9.3
|
1.0
|
|
C1D
|
A:HEM201
|
3.0
|
8.4
|
1.0
|
|
C4B
|
A:HEM201
|
3.0
|
9.0
|
1.0
|
|
C1A
|
A:HEM201
|
3.1
|
8.8
|
1.0
|
|
C1B
|
A:HEM201
|
3.1
|
8.0
|
1.0
|
|
C4A
|
A:HEM201
|
3.1
|
8.8
|
1.0
|
|
C4C
|
A:HEM201
|
3.1
|
8.9
|
1.0
|
|
C1C
|
A:HEM201
|
3.1
|
9.1
|
1.0
|
|
CE1
|
A:HIS101
|
3.3
|
8.2
|
1.0
|
|
CD2
|
A:HIS101
|
3.4
|
8.4
|
1.0
|
|
CHA
|
A:HEM201
|
3.4
|
8.8
|
1.0
|
|
CHD
|
A:HEM201
|
3.4
|
8.6
|
1.0
|
|
CHB
|
A:HEM201
|
3.5
|
8.9
|
1.0
|
|
CHC
|
A:HEM201
|
3.5
|
9.3
|
1.0
|
|
O
|
A:HOH309
|
3.6
|
11.2
|
1.0
|
|
CE1
|
A:HIS69
|
4.1
|
9.6
|
1.0
|
|
C2D
|
A:HEM201
|
4.3
|
8.5
|
1.0
|
|
C3D
|
A:HEM201
|
4.3
|
8.8
|
1.0
|
|
C2A
|
A:HEM201
|
4.3
|
8.6
|
1.0
|
|
C3A
|
A:HEM201
|
4.3
|
8.1
|
1.0
|
|
C2B
|
A:HEM201
|
4.3
|
8.4
|
1.0
|
|
C3B
|
A:HEM201
|
4.3
|
8.9
|
1.0
|
|
C2C
|
A:HEM201
|
4.3
|
8.9
|
1.0
|
|
C3C
|
A:HEM201
|
4.3
|
8.5
|
1.0
|
|
ND1
|
A:HIS101
|
4.5
|
8.3
|
1.0
|
|
CG
|
A:HIS101
|
4.5
|
8.4
|
1.0
|
|
NH2
|
A:ARG104
|
4.6
|
17.5
|
1.0
|
|
NE2
|
A:HIS69
|
4.6
|
8.6
|
1.0
|
|
CZ
|
A:PHE97
|
4.8
|
8.7
|
1.0
|
|
CE1
|
A:PHE111
|
4.9
|
10.3
|
1.0
|
|
Iron binding site 2 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 2 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:8.8
occ:1.00
|
FE
|
B:HEM201
|
0.0
|
8.8
|
1.0
|
|
ND
|
B:HEM201
|
1.9
|
9.8
|
1.0
|
|
NA
|
B:HEM201
|
2.0
|
9.0
|
1.0
|
|
NC
|
B:HEM201
|
2.1
|
9.3
|
1.0
|
|
NB
|
B:HEM201
|
2.1
|
9.5
|
1.0
|
|
NE2
|
B:HIS103
|
2.3
|
8.5
|
1.0
|
|
C4D
|
B:HEM201
|
3.0
|
8.5
|
1.0
|
|
C1D
|
B:HEM201
|
3.0
|
9.0
|
1.0
|
|
C4B
|
B:HEM201
|
3.0
|
8.4
|
1.0
|
|
C1A
|
B:HEM201
|
3.1
|
8.3
|
1.0
|
|
C4C
|
B:HEM201
|
3.1
|
9.7
|
1.0
|
|
C1B
|
B:HEM201
|
3.1
|
8.0
|
1.0
|
|
C1C
|
B:HEM201
|
3.1
|
8.6
|
1.0
|
|
C4A
|
B:HEM201
|
3.1
|
8.0
|
1.0
|
|
CE1
|
B:HIS103
|
3.3
|
9.2
|
1.0
|
|
CD2
|
B:HIS103
|
3.3
|
8.9
|
1.0
|
|
CHA
|
B:HEM201
|
3.4
|
8.7
|
1.0
|
|
CHD
|
B:HEM201
|
3.4
|
9.5
|
1.0
|
|
CHC
|
B:HEM201
|
3.5
|
9.7
|
1.0
|
|
CHB
|
B:HEM201
|
3.5
|
8.1
|
1.0
|
|
O
|
B:HOH473
|
3.6
|
23.7
|
1.0
|
|
C2D
|
B:HEM201
|
4.3
|
9.1
|
1.0
|
|
C3D
|
B:HEM201
|
4.3
|
9.2
|
1.0
|
|
CE1
|
B:HIS71
|
4.3
|
9.2
|
1.0
|
|
C2A
|
B:HEM201
|
4.3
|
8.8
|
1.0
|
|
C3C
|
B:HEM201
|
4.3
|
10.2
|
1.0
|
|
C2B
|
B:HEM201
|
4.3
|
8.3
|
1.0
|
|
C2C
|
B:HEM201
|
4.3
|
9.2
|
1.0
|
|
C3A
|
B:HEM201
|
4.3
|
7.4
|
1.0
|
|
C3B
|
B:HEM201
|
4.3
|
8.4
|
1.0
|
|
ND1
|
B:HIS103
|
4.4
|
9.0
|
1.0
|
|
CG
|
B:HIS103
|
4.4
|
8.8
|
1.0
|
|
NH2
|
B:ARG106
|
4.5
|
10.1
|
0.6
|
|
CZ
|
B:PHE53
|
4.6
|
9.5
|
1.0
|
|
CZ
|
B:PHE99
|
4.7
|
8.8
|
1.0
|
|
NE2
|
B:HIS71
|
4.8
|
9.0
|
1.0
|
|
Iron binding site 3 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 3 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:9.3
occ:1.00
|
FE
|
C:HEM201
|
0.0
|
9.3
|
1.0
|
|
ND
|
C:HEM201
|
1.9
|
9.8
|
1.0
|
|
NA
|
C:HEM201
|
2.0
|
9.3
|
1.0
|
|
NC
|
C:HEM201
|
2.1
|
9.8
|
1.0
|
|
NB
|
C:HEM201
|
2.1
|
9.5
|
1.0
|
|
NE2
|
C:HIS101
|
2.3
|
8.0
|
1.0
|
|
C1D
|
C:HEM201
|
2.9
|
9.7
|
1.0
|
|
C4D
|
C:HEM201
|
2.9
|
9.5
|
1.0
|
|
C4B
|
C:HEM201
|
3.1
|
8.9
|
1.0
|
|
C4C
|
C:HEM201
|
3.1
|
9.4
|
1.0
|
|
C1A
|
C:HEM201
|
3.1
|
8.3
|
1.0
|
|
C1B
|
C:HEM201
|
3.1
|
8.3
|
1.0
|
|
C1C
|
C:HEM201
|
3.1
|
8.6
|
1.0
|
|
C4A
|
C:HEM201
|
3.1
|
8.0
|
1.0
|
|
CE1
|
C:HIS101
|
3.3
|
8.6
|
1.0
|
|
CD2
|
C:HIS101
|
3.3
|
8.8
|
1.0
|
|
CHD
|
C:HEM201
|
3.4
|
9.5
|
1.0
|
|
CHA
|
C:HEM201
|
3.4
|
9.0
|
1.0
|
|
CHC
|
C:HEM201
|
3.5
|
8.7
|
1.0
|
|
CHB
|
C:HEM201
|
3.5
|
8.0
|
1.0
|
|
O
|
C:HOH313
|
3.6
|
12.8
|
1.0
|
|
CE1
|
C:HIS69
|
4.1
|
10.5
|
1.0
|
|
C2D
|
C:HEM201
|
4.2
|
9.9
|
1.0
|
|
C3D
|
C:HEM201
|
4.2
|
10.4
|
1.0
|
|
C2A
|
C:HEM201
|
4.3
|
8.1
|
1.0
|
|
C3A
|
C:HEM201
|
4.3
|
7.8
|
1.0
|
|
C3C
|
C:HEM201
|
4.3
|
9.6
|
1.0
|
|
C2C
|
C:HEM201
|
4.3
|
8.5
|
1.0
|
|
C2B
|
C:HEM201
|
4.3
|
8.4
|
1.0
|
|
C3B
|
C:HEM201
|
4.3
|
8.5
|
1.0
|
|
ND1
|
C:HIS101
|
4.4
|
9.3
|
1.0
|
|
CG
|
C:HIS101
|
4.5
|
9.6
|
1.0
|
|
NE2
|
C:HIS69
|
4.6
|
9.2
|
1.0
|
|
CZ
|
C:PHE97
|
4.8
|
9.2
|
1.0
|
|
NH1
|
C:ARG104
|
4.8
|
16.1
|
1.0
|
|
CE1
|
C:PHE111
|
4.8
|
8.1
|
1.0
|
|
Iron binding site 4 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 4 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:9.4
occ:1.00
|
FE
|
D:HEM201
|
0.0
|
9.4
|
1.0
|
|
ND
|
D:HEM201
|
2.0
|
9.4
|
1.0
|
|
NA
|
D:HEM201
|
2.0
|
9.3
|
1.0
|
|
NB
|
D:HEM201
|
2.1
|
9.4
|
1.0
|
|
NC
|
D:HEM201
|
2.1
|
9.8
|
1.0
|
|
NE2
|
D:HIS103
|
2.4
|
7.8
|
1.0
|
|
C1D
|
D:HEM201
|
3.0
|
9.4
|
1.0
|
|
C4D
|
D:HEM201
|
3.0
|
9.4
|
1.0
|
|
C4B
|
D:HEM201
|
3.0
|
9.8
|
1.0
|
|
C1B
|
D:HEM201
|
3.0
|
9.0
|
1.0
|
|
C1A
|
D:HEM201
|
3.1
|
8.8
|
1.0
|
|
C4A
|
D:HEM201
|
3.1
|
8.2
|
1.0
|
|
C4C
|
D:HEM201
|
3.1
|
9.3
|
1.0
|
|
C1C
|
D:HEM201
|
3.1
|
9.5
|
1.0
|
|
CD2
|
D:HIS103
|
3.3
|
7.8
|
1.0
|
|
CE1
|
D:HIS103
|
3.3
|
9.2
|
1.0
|
|
O
|
D:HOH440
|
3.4
|
27.9
|
1.0
|
|
CHD
|
D:HEM201
|
3.4
|
9.8
|
1.0
|
|
CHA
|
D:HEM201
|
3.4
|
9.5
|
1.0
|
|
CHB
|
D:HEM201
|
3.4
|
9.1
|
1.0
|
|
CHC
|
D:HEM201
|
3.5
|
9.8
|
1.0
|
|
C2D
|
D:HEM201
|
4.3
|
9.6
|
1.0
|
|
CE1
|
D:HIS71
|
4.3
|
8.5
|
1.0
|
|
C2B
|
D:HEM201
|
4.3
|
8.7
|
1.0
|
|
C3D
|
D:HEM201
|
4.3
|
10.2
|
1.0
|
|
C3A
|
D:HEM201
|
4.3
|
7.9
|
1.0
|
|
C2A
|
D:HEM201
|
4.3
|
8.6
|
1.0
|
|
C3B
|
D:HEM201
|
4.3
|
9.8
|
1.0
|
|
C2C
|
D:HEM201
|
4.3
|
8.9
|
1.0
|
|
C3C
|
D:HEM201
|
4.3
|
9.0
|
1.0
|
|
ND1
|
D:HIS103
|
4.4
|
9.3
|
1.0
|
|
CG
|
D:HIS103
|
4.5
|
8.8
|
1.0
|
|
CZ
|
D:PHE53
|
4.7
|
12.1
|
1.0
|
|
NE2
|
D:HIS71
|
4.8
|
8.7
|
1.0
|
|
CZ
|
D:PHE99
|
4.8
|
8.7
|
1.0
|
|
NH1
|
D:ARG106
|
4.9
|
17.1
|
1.0
|
|
Iron binding site 5 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 5 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:8.9
occ:1.00
|
FE
|
E:HEM201
|
0.0
|
8.9
|
1.0
|
|
ND
|
E:HEM201
|
1.9
|
9.9
|
1.0
|
|
NA
|
E:HEM201
|
2.0
|
9.5
|
1.0
|
|
NC
|
E:HEM201
|
2.1
|
9.8
|
1.0
|
|
NB
|
E:HEM201
|
2.1
|
9.2
|
1.0
|
|
NE2
|
E:HIS101
|
2.4
|
8.6
|
1.0
|
|
C1D
|
E:HEM201
|
2.9
|
10.3
|
1.0
|
|
C4D
|
E:HEM201
|
2.9
|
9.2
|
1.0
|
|
C4B
|
E:HEM201
|
3.1
|
8.2
|
1.0
|
|
C1A
|
E:HEM201
|
3.1
|
8.3
|
1.0
|
|
C1B
|
E:HEM201
|
3.1
|
7.8
|
1.0
|
|
C4C
|
E:HEM201
|
3.1
|
9.3
|
1.0
|
|
C4A
|
E:HEM201
|
3.1
|
8.1
|
1.0
|
|
C1C
|
E:HEM201
|
3.1
|
8.4
|
1.0
|
|
CE1
|
E:HIS101
|
3.3
|
9.3
|
1.0
|
|
CD2
|
E:HIS101
|
3.3
|
9.5
|
1.0
|
|
CHD
|
E:HEM201
|
3.4
|
10.3
|
1.0
|
|
CHA
|
E:HEM201
|
3.4
|
8.3
|
1.0
|
|
CHC
|
E:HEM201
|
3.5
|
8.5
|
1.0
|
|
CHB
|
E:HEM201
|
3.5
|
8.6
|
1.0
|
|
O
|
E:HOH304
|
3.6
|
11.6
|
1.0
|
|
CE1
|
E:HIS69
|
4.2
|
10.0
|
1.0
|
|
C2D
|
E:HEM201
|
4.2
|
10.5
|
1.0
|
|
C3D
|
E:HEM201
|
4.2
|
10.1
|
1.0
|
|
C2A
|
E:HEM201
|
4.3
|
8.0
|
1.0
|
|
C3A
|
E:HEM201
|
4.3
|
7.8
|
1.0
|
|
C3C
|
E:HEM201
|
4.3
|
9.0
|
1.0
|
|
C2C
|
E:HEM201
|
4.3
|
8.5
|
1.0
|
|
C2B
|
E:HEM201
|
4.3
|
8.1
|
1.0
|
|
C3B
|
E:HEM201
|
4.3
|
8.4
|
1.0
|
|
ND1
|
E:HIS101
|
4.4
|
8.8
|
1.0
|
|
CG
|
E:HIS101
|
4.5
|
9.1
|
1.0
|
|
NE2
|
E:HIS69
|
4.6
|
8.5
|
1.0
|
|
NH2
|
E:ARG104
|
4.6
|
17.3
|
0.6
|
|
CE1
|
E:PHE111
|
4.8
|
9.6
|
1.0
|
|
CZ
|
E:PHE97
|
4.8
|
8.7
|
1.0
|
|
Iron binding site 6 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 6 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe201
b:9.9
occ:1.00
|
FE
|
F:HEM201
|
0.0
|
9.9
|
1.0
|
|
ND
|
F:HEM201
|
1.9
|
10.8
|
1.0
|
|
NA
|
F:HEM201
|
2.0
|
10.2
|
1.0
|
|
NB
|
F:HEM201
|
2.1
|
9.7
|
1.0
|
|
NC
|
F:HEM201
|
2.1
|
10.0
|
1.0
|
|
NE2
|
F:HIS103
|
2.4
|
8.7
|
1.0
|
|
C1D
|
F:HEM201
|
3.0
|
10.9
|
1.0
|
|
C4D
|
F:HEM201
|
3.0
|
10.1
|
1.0
|
|
C4B
|
F:HEM201
|
3.0
|
10.1
|
1.0
|
|
C1B
|
F:HEM201
|
3.0
|
9.6
|
1.0
|
|
C4C
|
F:HEM201
|
3.1
|
11.1
|
1.0
|
|
C1A
|
F:HEM201
|
3.1
|
9.4
|
1.0
|
|
C4A
|
F:HEM201
|
3.1
|
9.4
|
1.0
|
|
C1C
|
F:HEM201
|
3.1
|
10.2
|
1.0
|
|
CD2
|
F:HIS103
|
3.3
|
8.7
|
1.0
|
|
CE1
|
F:HIS103
|
3.3
|
9.6
|
1.0
|
|
CHD
|
F:HEM201
|
3.4
|
11.4
|
1.0
|
|
CHA
|
F:HEM201
|
3.4
|
9.5
|
1.0
|
|
CHB
|
F:HEM201
|
3.4
|
10.3
|
1.0
|
|
CHC
|
F:HEM201
|
3.5
|
10.2
|
1.0
|
|
C2D
|
F:HEM201
|
4.3
|
10.4
|
1.0
|
|
C3D
|
F:HEM201
|
4.3
|
10.2
|
1.0
|
|
C2B
|
F:HEM201
|
4.3
|
9.8
|
1.0
|
|
C3A
|
F:HEM201
|
4.3
|
9.2
|
1.0
|
|
C2A
|
F:HEM201
|
4.3
|
9.3
|
1.0
|
|
CE1
|
F:HIS71
|
4.3
|
10.8
|
1.0
|
|
C3C
|
F:HEM201
|
4.3
|
11.0
|
1.0
|
|
C2C
|
F:HEM201
|
4.3
|
10.7
|
1.0
|
|
C3B
|
F:HEM201
|
4.3
|
10.4
|
1.0
|
|
ND1
|
F:HIS103
|
4.4
|
10.1
|
1.0
|
|
CG
|
F:HIS103
|
4.5
|
9.7
|
1.0
|
|
CZ
|
F:PHE53
|
4.6
|
11.9
|
1.0
|
|
NH1
|
F:ARG106
|
4.7
|
13.8
|
1.0
|
|
CZ
|
F:PHE99
|
4.8
|
9.2
|
1.0
|
|
NE2
|
F:HIS71
|
4.8
|
9.7
|
1.0
|
|
Iron binding site 7 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 7 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:10.2
occ:1.00
|
FE
|
G:HEM201
|
0.0
|
10.2
|
1.0
|
|
ND
|
G:HEM201
|
1.9
|
10.4
|
1.0
|
|
NA
|
G:HEM201
|
2.0
|
9.9
|
1.0
|
|
NB
|
G:HEM201
|
2.1
|
9.7
|
1.0
|
|
NC
|
G:HEM201
|
2.1
|
11.0
|
1.0
|
|
NE2
|
G:HIS101
|
2.4
|
9.2
|
1.0
|
|
C4D
|
G:HEM201
|
3.0
|
10.7
|
1.0
|
|
C1D
|
G:HEM201
|
3.0
|
11.2
|
1.0
|
|
C4B
|
G:HEM201
|
3.0
|
9.8
|
1.0
|
|
C1A
|
G:HEM201
|
3.1
|
9.7
|
1.0
|
|
C4A
|
G:HEM201
|
3.1
|
9.3
|
1.0
|
|
C4C
|
G:HEM201
|
3.1
|
11.1
|
1.0
|
|
C1B
|
G:HEM201
|
3.1
|
9.6
|
1.0
|
|
C1C
|
G:HEM201
|
3.1
|
10.3
|
1.0
|
|
CE1
|
G:HIS101
|
3.3
|
9.6
|
1.0
|
|
CD2
|
G:HIS101
|
3.4
|
9.3
|
1.0
|
|
CHA
|
G:HEM201
|
3.4
|
10.7
|
1.0
|
|
CHD
|
G:HEM201
|
3.4
|
11.5
|
1.0
|
|
CHB
|
G:HEM201
|
3.5
|
9.9
|
1.0
|
|
CHC
|
G:HEM201
|
3.5
|
10.1
|
1.0
|
|
O
|
G:HOH316
|
3.6
|
13.8
|
1.0
|
|
CE1
|
G:HIS69
|
4.1
|
11.4
|
1.0
|
|
C2D
|
G:HEM201
|
4.2
|
10.9
|
1.0
|
|
C3D
|
G:HEM201
|
4.3
|
10.8
|
1.0
|
|
C2A
|
G:HEM201
|
4.3
|
10.0
|
1.0
|
|
C3A
|
G:HEM201
|
4.3
|
9.2
|
1.0
|
|
C3C
|
G:HEM201
|
4.3
|
10.7
|
1.0
|
|
C2C
|
G:HEM201
|
4.3
|
10.6
|
1.0
|
|
C2B
|
G:HEM201
|
4.3
|
10.2
|
1.0
|
|
C3B
|
G:HEM201
|
4.3
|
10.2
|
1.0
|
|
ND1
|
G:HIS101
|
4.4
|
9.7
|
1.0
|
|
CG
|
G:HIS101
|
4.5
|
9.5
|
1.0
|
|
NE2
|
G:HIS69
|
4.6
|
10.4
|
1.0
|
|
CZ
|
G:PHE97
|
4.8
|
9.9
|
1.0
|
|
NH1
|
G:ARG104
|
4.8
|
14.7
|
1.0
|
|
CE1
|
G:PHE111
|
4.9
|
10.7
|
1.0
|
|
Iron binding site 8 out
of 8 in 4hrt
Go back to
Iron Binding Sites List in 4hrt
Iron binding site 8 out
of 8 in the Scapharca Tetrameric Hemoglobin, Unliganded
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Scapharca Tetrameric Hemoglobin, Unliganded within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:9.9
occ:1.00
|
FE
|
H:HEM201
|
0.0
|
9.9
|
1.0
|
|
ND
|
H:HEM201
|
1.9
|
10.8
|
1.0
|
|
NA
|
H:HEM201
|
2.1
|
9.4
|
1.0
|
|
NC
|
H:HEM201
|
2.1
|
10.5
|
1.0
|
|
NB
|
H:HEM201
|
2.1
|
10.5
|
1.0
|
|
NE2
|
H:HIS103
|
2.3
|
9.6
|
1.0
|
|
C4D
|
H:HEM201
|
2.9
|
10.2
|
1.0
|
|
C1D
|
H:HEM201
|
3.0
|
10.8
|
1.0
|
|
C1A
|
H:HEM201
|
3.1
|
9.2
|
1.0
|
|
C4B
|
H:HEM201
|
3.1
|
9.5
|
1.0
|
|
C4C
|
H:HEM201
|
3.1
|
10.4
|
1.0
|
|
C1C
|
H:HEM201
|
3.1
|
9.7
|
1.0
|
|
C4A
|
H:HEM201
|
3.1
|
8.7
|
1.0
|
|
C1B
|
H:HEM201
|
3.1
|
9.4
|
1.0
|
|
CE1
|
H:HIS103
|
3.3
|
9.9
|
1.0
|
|
CD2
|
H:HIS103
|
3.3
|
10.6
|
1.0
|
|
CHA
|
H:HEM201
|
3.4
|
9.9
|
1.0
|
|
CHD
|
H:HEM201
|
3.4
|
10.3
|
1.0
|
|
CHC
|
H:HEM201
|
3.5
|
10.3
|
1.0
|
|
CHB
|
H:HEM201
|
3.5
|
9.5
|
1.0
|
|
C3D
|
H:HEM201
|
4.2
|
10.8
|
1.0
|
|
C2D
|
H:HEM201
|
4.2
|
10.5
|
1.0
|
|
CE1
|
H:HIS71
|
4.3
|
9.1
|
1.0
|
|
C3C
|
H:HEM201
|
4.3
|
10.5
|
1.0
|
|
C2C
|
H:HEM201
|
4.3
|
10.0
|
1.0
|
|
C2A
|
H:HEM201
|
4.3
|
9.3
|
1.0
|
|
C3A
|
H:HEM201
|
4.3
|
8.5
|
1.0
|
|
C2B
|
H:HEM201
|
4.3
|
8.9
|
1.0
|
|
CZ
|
H:PHE53
|
4.4
|
11.5
|
1.0
|
|
C3B
|
H:HEM201
|
4.4
|
9.7
|
1.0
|
|
ND1
|
H:HIS103
|
4.4
|
9.7
|
1.0
|
|
CG
|
H:HIS103
|
4.4
|
9.3
|
1.0
|
|
CZ
|
H:PHE99
|
4.7
|
9.1
|
1.0
|
|
NH1
|
H:ARG106
|
4.7
|
19.4
|
1.0
|
|
NE2
|
H:HIS71
|
4.8
|
9.4
|
1.0
|
|
CE1
|
H:PHE53
|
4.9
|
10.9
|
1.0
|
|
Reference:
L.Ronda,
S.Bettati,
E.R.Henry,
T.Kashav,
J.M.Sanders,
W.E.Royer,
A.Mozzarelli.
Tertiary and Quaternary Allostery in Tetrameric Hemoglobin From Scapharca Inaequivalvis. Biochemistry V. 52 2108 2013.
ISSN: ISSN 0006-2960
PubMed: 23458680
DOI: 10.1021/BI301620X
Page generated: Mon Aug 5 03:49:14 2024
|
