Iron in PDB 3wcv: The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
Protein crystallography data
The structure of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form, PDB code: 3wcv
was solved by
N.Numoto,
T.Nakagawa,
R.Ohara,
T.Hasegawa,
A.Kita,
T.Yoshida,
T.Maruyama,
K.Imai,
Y.Fukumori,
K.Miki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.33 /
2.60
|
Space group
|
P 63
|
Cell size a, b, c (Å), α, β, γ (°)
|
108.944,
108.944,
195.016,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
23.5 /
26.7
|
Other elements in 3wcv:
The structure of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
(pdb code 3wcv). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form, PDB code: 3wcv:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 1 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:31.9
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
31.9
|
1.0
|
O1
|
A:OXY202
|
1.9
|
41.3
|
1.0
|
NA
|
A:HEM201
|
2.0
|
37.2
|
1.0
|
NC
|
A:HEM201
|
2.0
|
36.5
|
1.0
|
NB
|
A:HEM201
|
2.0
|
35.6
|
1.0
|
ND
|
A:HEM201
|
2.0
|
38.5
|
1.0
|
NE2
|
A:HIS94
|
2.1
|
38.7
|
1.0
|
O2
|
A:OXY202
|
2.8
|
40.8
|
1.0
|
C4A
|
A:HEM201
|
3.0
|
40.4
|
1.0
|
C4C
|
A:HEM201
|
3.0
|
36.8
|
1.0
|
C1B
|
A:HEM201
|
3.0
|
36.0
|
1.0
|
C1C
|
A:HEM201
|
3.0
|
37.7
|
1.0
|
C1D
|
A:HEM201
|
3.0
|
37.4
|
1.0
|
C4D
|
A:HEM201
|
3.0
|
37.5
|
1.0
|
C1A
|
A:HEM201
|
3.0
|
39.0
|
1.0
|
C4B
|
A:HEM201
|
3.1
|
37.1
|
1.0
|
CD2
|
A:HIS94
|
3.1
|
39.7
|
1.0
|
CE1
|
A:HIS94
|
3.1
|
38.5
|
1.0
|
CHB
|
A:HEM201
|
3.3
|
38.0
|
1.0
|
CHA
|
A:HEM201
|
3.4
|
38.9
|
1.0
|
CHD
|
A:HEM201
|
3.4
|
37.2
|
1.0
|
CHC
|
A:HEM201
|
3.4
|
36.9
|
1.0
|
ND1
|
A:HIS94
|
4.2
|
39.5
|
1.0
|
CG
|
A:HIS94
|
4.3
|
40.5
|
1.0
|
C3A
|
A:HEM201
|
4.3
|
41.0
|
1.0
|
C2A
|
A:HEM201
|
4.3
|
42.5
|
1.0
|
C2B
|
A:HEM201
|
4.3
|
36.4
|
1.0
|
C3B
|
A:HEM201
|
4.3
|
37.1
|
1.0
|
C2C
|
A:HEM201
|
4.3
|
39.3
|
1.0
|
C3D
|
A:HEM201
|
4.3
|
37.4
|
1.0
|
C3C
|
A:HEM201
|
4.4
|
40.3
|
1.0
|
C2D
|
A:HEM201
|
4.4
|
37.7
|
1.0
|
CG2
|
A:VAL66
|
4.6
|
35.8
|
1.0
|
CE1
|
A:HIS62
|
4.8
|
40.6
|
1.0
|
|
Iron binding site 2 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 2 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:65.2
occ:1.00
|
FE
|
B:HEM201
|
0.0
|
65.2
|
1.0
|
O1
|
B:OXY202
|
1.8
|
70.9
|
1.0
|
NC
|
B:HEM201
|
2.0
|
63.5
|
1.0
|
NA
|
B:HEM201
|
2.0
|
63.0
|
1.0
|
ND
|
B:HEM201
|
2.0
|
64.0
|
1.0
|
NB
|
B:HEM201
|
2.0
|
62.0
|
1.0
|
NE2
|
B:HIS95
|
2.1
|
79.5
|
1.0
|
O2
|
B:OXY202
|
2.9
|
70.4
|
1.0
|
C1D
|
B:HEM201
|
3.0
|
63.7
|
1.0
|
C4C
|
B:HEM201
|
3.0
|
63.9
|
1.0
|
C4D
|
B:HEM201
|
3.0
|
64.2
|
1.0
|
C1C
|
B:HEM201
|
3.0
|
62.2
|
1.0
|
C1B
|
B:HEM201
|
3.0
|
60.3
|
1.0
|
C1A
|
B:HEM201
|
3.0
|
63.8
|
1.0
|
C4A
|
B:HEM201
|
3.1
|
62.8
|
1.0
|
C4B
|
B:HEM201
|
3.1
|
61.7
|
1.0
|
CE1
|
B:HIS95
|
3.1
|
83.6
|
1.0
|
CD2
|
B:HIS95
|
3.1
|
83.8
|
1.0
|
CHA
|
B:HEM201
|
3.4
|
64.1
|
1.0
|
CHD
|
B:HEM201
|
3.4
|
63.1
|
1.0
|
CHB
|
B:HEM201
|
3.4
|
59.8
|
1.0
|
CHC
|
B:HEM201
|
3.4
|
62.0
|
1.0
|
ND1
|
B:HIS95
|
4.2
|
84.2
|
1.0
|
CG
|
B:HIS95
|
4.2
|
84.9
|
1.0
|
C2A
|
B:HEM201
|
4.3
|
64.7
|
1.0
|
C3A
|
B:HEM201
|
4.3
|
63.5
|
1.0
|
C3D
|
B:HEM201
|
4.3
|
62.6
|
1.0
|
C2C
|
B:HEM201
|
4.3
|
62.4
|
1.0
|
C2D
|
B:HEM201
|
4.3
|
63.0
|
1.0
|
C2B
|
B:HEM201
|
4.3
|
60.6
|
1.0
|
C3C
|
B:HEM201
|
4.3
|
63.1
|
1.0
|
C3B
|
B:HEM201
|
4.3
|
60.3
|
1.0
|
CG2
|
B:VAL67
|
4.5
|
46.5
|
1.0
|
CE1
|
B:HIS63
|
4.8
|
63.0
|
1.0
|
|
Iron binding site 3 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 3 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe200
b:69.1
occ:1.00
|
FE
|
C:HEM200
|
0.0
|
69.1
|
1.0
|
O1
|
C:OXY201
|
1.8
|
78.7
|
1.0
|
NA
|
C:HEM200
|
2.0
|
69.3
|
1.0
|
NC
|
C:HEM200
|
2.0
|
68.5
|
1.0
|
ND
|
C:HEM200
|
2.0
|
71.3
|
1.0
|
NB
|
C:HEM200
|
2.0
|
70.3
|
1.0
|
NE2
|
C:HIS99
|
2.1
|
77.1
|
1.0
|
O2
|
C:OXY201
|
3.0
|
84.7
|
1.0
|
CD2
|
C:HIS99
|
3.0
|
79.4
|
1.0
|
C1D
|
C:HEM200
|
3.0
|
71.2
|
1.0
|
C4C
|
C:HEM200
|
3.0
|
70.1
|
1.0
|
C4D
|
C:HEM200
|
3.0
|
72.3
|
1.0
|
C1C
|
C:HEM200
|
3.0
|
68.6
|
1.0
|
C1B
|
C:HEM200
|
3.0
|
69.2
|
1.0
|
C4A
|
C:HEM200
|
3.0
|
69.1
|
1.0
|
C1A
|
C:HEM200
|
3.1
|
70.3
|
1.0
|
C4B
|
C:HEM200
|
3.1
|
69.2
|
1.0
|
CE1
|
C:HIS99
|
3.1
|
78.7
|
1.0
|
CHB
|
C:HEM200
|
3.4
|
68.5
|
1.0
|
CHD
|
C:HEM200
|
3.4
|
71.0
|
1.0
|
CHA
|
C:HEM200
|
3.4
|
71.4
|
1.0
|
CHC
|
C:HEM200
|
3.4
|
68.7
|
1.0
|
CG
|
C:HIS99
|
4.1
|
81.2
|
1.0
|
ND1
|
C:HIS99
|
4.2
|
79.3
|
1.0
|
C3A
|
C:HEM200
|
4.3
|
70.0
|
1.0
|
C2A
|
C:HEM200
|
4.3
|
70.8
|
1.0
|
C3D
|
C:HEM200
|
4.3
|
72.6
|
1.0
|
C2C
|
C:HEM200
|
4.3
|
69.2
|
1.0
|
C2B
|
C:HEM200
|
4.3
|
68.5
|
1.0
|
C3B
|
C:HEM200
|
4.3
|
68.4
|
1.0
|
C2D
|
C:HEM200
|
4.3
|
71.4
|
1.0
|
C3C
|
C:HEM200
|
4.3
|
70.2
|
1.0
|
CG2
|
C:VAL71
|
4.7
|
60.2
|
1.0
|
CE1
|
C:HIS67
|
4.9
|
63.6
|
1.0
|
|
Iron binding site 4 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 4 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:54.7
occ:1.00
|
FE
|
D:HEM201
|
0.0
|
54.7
|
1.0
|
O1
|
D:OXY202
|
1.8
|
58.0
|
1.0
|
NA
|
D:HEM201
|
2.0
|
57.1
|
1.0
|
NC
|
D:HEM201
|
2.0
|
59.9
|
1.0
|
NB
|
D:HEM201
|
2.0
|
58.8
|
1.0
|
ND
|
D:HEM201
|
2.0
|
60.4
|
1.0
|
NE2
|
D:HIS99
|
2.1
|
56.5
|
1.0
|
O2
|
D:OXY202
|
2.7
|
64.5
|
1.0
|
CE1
|
D:HIS99
|
2.9
|
58.5
|
1.0
|
C1D
|
D:HEM201
|
3.0
|
60.5
|
1.0
|
C4C
|
D:HEM201
|
3.0
|
60.0
|
1.0
|
C1C
|
D:HEM201
|
3.0
|
60.6
|
1.0
|
C1B
|
D:HEM201
|
3.0
|
55.9
|
1.0
|
C4A
|
D:HEM201
|
3.0
|
55.8
|
1.0
|
C4D
|
D:HEM201
|
3.0
|
59.8
|
1.0
|
C1A
|
D:HEM201
|
3.1
|
55.1
|
1.0
|
C4B
|
D:HEM201
|
3.1
|
59.0
|
1.0
|
CD2
|
D:HIS99
|
3.2
|
60.5
|
1.0
|
CHB
|
D:HEM201
|
3.4
|
55.4
|
1.0
|
CHD
|
D:HEM201
|
3.4
|
60.9
|
1.0
|
CHA
|
D:HEM201
|
3.4
|
57.0
|
1.0
|
CHC
|
D:HEM201
|
3.4
|
60.9
|
1.0
|
ND1
|
D:HIS99
|
4.1
|
61.2
|
1.0
|
CG
|
D:HIS99
|
4.2
|
63.6
|
1.0
|
C3A
|
D:HEM201
|
4.3
|
55.2
|
1.0
|
C2A
|
D:HEM201
|
4.3
|
54.3
|
1.0
|
C2C
|
D:HEM201
|
4.3
|
60.0
|
1.0
|
C3D
|
D:HEM201
|
4.3
|
60.6
|
1.0
|
C2B
|
D:HEM201
|
4.3
|
57.1
|
1.0
|
C3B
|
D:HEM201
|
4.3
|
58.7
|
1.0
|
C2D
|
D:HEM201
|
4.3
|
60.6
|
1.0
|
C3C
|
D:HEM201
|
4.3
|
60.4
|
1.0
|
CG2
|
D:VAL71
|
4.5
|
44.3
|
1.0
|
CE1
|
D:HIS67
|
4.9
|
42.2
|
1.0
|
|
Iron binding site 5 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 5 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe200
b:53.4
occ:1.00
|
FE
|
E:HEM200
|
0.0
|
53.4
|
1.0
|
O1
|
E:OXY201
|
1.8
|
54.3
|
1.0
|
NA
|
E:HEM200
|
2.0
|
46.7
|
1.0
|
NC
|
E:HEM200
|
2.0
|
46.8
|
1.0
|
ND
|
E:HEM200
|
2.0
|
48.0
|
1.0
|
NB
|
E:HEM200
|
2.0
|
47.4
|
1.0
|
NE2
|
E:HIS94
|
2.1
|
53.2
|
1.0
|
O2
|
E:OXY201
|
2.8
|
61.0
|
1.0
|
C1D
|
E:HEM200
|
3.0
|
48.3
|
1.0
|
C4C
|
E:HEM200
|
3.0
|
47.9
|
1.0
|
C4D
|
E:HEM200
|
3.0
|
48.3
|
1.0
|
C1C
|
E:HEM200
|
3.0
|
46.8
|
1.0
|
C1A
|
E:HEM200
|
3.0
|
47.7
|
1.0
|
C1B
|
E:HEM200
|
3.0
|
48.5
|
1.0
|
C4A
|
E:HEM200
|
3.0
|
47.8
|
1.0
|
C4B
|
E:HEM200
|
3.1
|
46.8
|
1.0
|
CD2
|
E:HIS94
|
3.1
|
56.4
|
1.0
|
CE1
|
E:HIS94
|
3.1
|
55.5
|
1.0
|
CHD
|
E:HEM200
|
3.4
|
48.1
|
1.0
|
CHA
|
E:HEM200
|
3.4
|
48.8
|
1.0
|
CHB
|
E:HEM200
|
3.4
|
48.1
|
1.0
|
CHC
|
E:HEM200
|
3.4
|
46.9
|
1.0
|
ND1
|
E:HIS94
|
4.2
|
55.7
|
1.0
|
C2A
|
E:HEM200
|
4.2
|
49.5
|
1.0
|
C3A
|
E:HEM200
|
4.3
|
49.3
|
1.0
|
CG
|
E:HIS94
|
4.3
|
58.2
|
1.0
|
C3D
|
E:HEM200
|
4.3
|
49.6
|
1.0
|
C2C
|
E:HEM200
|
4.3
|
48.1
|
1.0
|
C2D
|
E:HEM200
|
4.3
|
49.0
|
1.0
|
C2B
|
E:HEM200
|
4.3
|
49.8
|
1.0
|
C3B
|
E:HEM200
|
4.3
|
48.8
|
1.0
|
C3C
|
E:HEM200
|
4.3
|
49.4
|
1.0
|
CG2
|
E:VAL66
|
4.6
|
42.3
|
1.0
|
CE1
|
E:HIS62
|
4.8
|
39.1
|
1.0
|
|
Iron binding site 6 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 6 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe201
b:60.4
occ:1.00
|
FE
|
F:HEM201
|
0.0
|
60.4
|
1.0
|
O1
|
F:OXY202
|
1.8
|
66.8
|
1.0
|
NC
|
F:HEM201
|
2.0
|
56.3
|
1.0
|
NB
|
F:HEM201
|
2.0
|
55.8
|
1.0
|
NA
|
F:HEM201
|
2.0
|
56.7
|
1.0
|
ND
|
F:HEM201
|
2.0
|
58.4
|
1.0
|
NE2
|
F:HIS95
|
2.1
|
72.5
|
1.0
|
O2
|
F:OXY202
|
2.8
|
67.5
|
1.0
|
C1D
|
F:HEM201
|
3.0
|
58.4
|
1.0
|
C4C
|
F:HEM201
|
3.0
|
57.8
|
1.0
|
C1B
|
F:HEM201
|
3.0
|
56.3
|
1.0
|
C4D
|
F:HEM201
|
3.0
|
58.0
|
1.0
|
C1C
|
F:HEM201
|
3.0
|
56.7
|
1.0
|
CE1
|
F:HIS95
|
3.1
|
76.8
|
1.0
|
C1A
|
F:HEM201
|
3.1
|
56.1
|
1.0
|
C4A
|
F:HEM201
|
3.1
|
55.5
|
1.0
|
C4B
|
F:HEM201
|
3.1
|
58.2
|
1.0
|
CD2
|
F:HIS95
|
3.1
|
77.6
|
1.0
|
CHD
|
F:HEM201
|
3.4
|
58.1
|
1.0
|
CHB
|
F:HEM201
|
3.4
|
55.3
|
1.0
|
CHA
|
F:HEM201
|
3.4
|
57.0
|
1.0
|
CHC
|
F:HEM201
|
3.4
|
58.5
|
1.0
|
ND1
|
F:HIS95
|
4.2
|
78.2
|
1.0
|
CG
|
F:HIS95
|
4.3
|
78.5
|
1.0
|
C3A
|
F:HEM201
|
4.3
|
53.7
|
1.0
|
C2A
|
F:HEM201
|
4.3
|
56.0
|
1.0
|
C2C
|
F:HEM201
|
4.3
|
56.4
|
1.0
|
C3D
|
F:HEM201
|
4.3
|
58.0
|
1.0
|
C3B
|
F:HEM201
|
4.3
|
58.9
|
1.0
|
C2B
|
F:HEM201
|
4.3
|
59.2
|
1.0
|
C2D
|
F:HEM201
|
4.3
|
57.8
|
1.0
|
C3C
|
F:HEM201
|
4.3
|
58.0
|
1.0
|
CG2
|
F:VAL67
|
4.7
|
44.7
|
1.0
|
CE1
|
F:HIS63
|
4.8
|
46.6
|
1.0
|
|
Iron binding site 7 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 7 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe200
b:66.8
occ:1.00
|
FE
|
G:HEM200
|
0.0
|
66.8
|
1.0
|
O1
|
G:OXY201
|
1.8
|
70.2
|
1.0
|
NC
|
G:HEM200
|
2.0
|
67.5
|
1.0
|
NB
|
G:HEM200
|
2.0
|
68.0
|
1.0
|
NA
|
G:HEM200
|
2.0
|
69.3
|
1.0
|
ND
|
G:HEM200
|
2.0
|
68.9
|
1.0
|
NE2
|
G:HIS99
|
2.1
|
75.3
|
1.0
|
O2
|
G:OXY201
|
2.8
|
70.6
|
1.0
|
CE1
|
G:HIS99
|
3.0
|
77.3
|
1.0
|
C4C
|
G:HEM200
|
3.0
|
68.2
|
1.0
|
C1C
|
G:HEM200
|
3.0
|
67.9
|
1.0
|
C1D
|
G:HEM200
|
3.0
|
67.9
|
1.0
|
C1B
|
G:HEM200
|
3.0
|
66.8
|
1.0
|
C4D
|
G:HEM200
|
3.0
|
68.8
|
1.0
|
C4A
|
G:HEM200
|
3.0
|
68.9
|
1.0
|
C1A
|
G:HEM200
|
3.1
|
69.9
|
1.0
|
C4B
|
G:HEM200
|
3.1
|
69.0
|
1.0
|
CD2
|
G:HIS99
|
3.1
|
78.8
|
1.0
|
CHB
|
G:HEM200
|
3.4
|
66.3
|
1.0
|
CHD
|
G:HEM200
|
3.4
|
68.3
|
1.0
|
CHA
|
G:HEM200
|
3.4
|
69.8
|
1.0
|
CHC
|
G:HEM200
|
3.4
|
68.8
|
1.0
|
ND1
|
G:HIS99
|
4.1
|
78.8
|
1.0
|
CG
|
G:HIS99
|
4.1
|
79.8
|
1.0
|
C3A
|
G:HEM200
|
4.3
|
70.9
|
1.0
|
C2A
|
G:HEM200
|
4.3
|
70.6
|
1.0
|
C2C
|
G:HEM200
|
4.3
|
67.9
|
1.0
|
C3B
|
G:HEM200
|
4.3
|
68.4
|
1.0
|
C2B
|
G:HEM200
|
4.3
|
68.0
|
1.0
|
C3D
|
G:HEM200
|
4.3
|
68.9
|
1.0
|
C2D
|
G:HEM200
|
4.3
|
68.0
|
1.0
|
C3C
|
G:HEM200
|
4.3
|
67.9
|
1.0
|
CE1
|
G:HIS67
|
4.7
|
46.9
|
1.0
|
CG2
|
G:VAL71
|
4.8
|
62.1
|
1.0
|
|
Iron binding site 8 out
of 8 in 3wcv
Go back to
Iron Binding Sites List in 3wcv
Iron binding site 8 out
of 8 in the The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of The Structure of A Deoxygenated 400 kDa Hemoglobin Provides A More Accurate Description of the Cooperative Mechanism of Giant Hemoglobins: Ca Bound Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:57.1
occ:1.00
|
FE
|
H:HEM201
|
0.0
|
57.1
|
1.0
|
O1
|
H:OXY202
|
1.8
|
65.2
|
1.0
|
ND
|
H:HEM201
|
2.0
|
55.3
|
1.0
|
NA
|
H:HEM201
|
2.0
|
54.3
|
1.0
|
NC
|
H:HEM201
|
2.0
|
53.4
|
1.0
|
NB
|
H:HEM201
|
2.0
|
53.7
|
1.0
|
NE2
|
H:HIS99
|
2.1
|
57.5
|
1.0
|
O2
|
H:OXY202
|
2.8
|
71.5
|
1.0
|
C1D
|
H:HEM201
|
3.0
|
54.8
|
1.0
|
C4C
|
H:HEM201
|
3.0
|
52.5
|
1.0
|
C4D
|
H:HEM201
|
3.0
|
57.8
|
1.0
|
C1C
|
H:HEM201
|
3.0
|
52.6
|
1.0
|
C1B
|
H:HEM201
|
3.0
|
52.9
|
1.0
|
CE1
|
H:HIS99
|
3.1
|
58.3
|
1.0
|
C4A
|
H:HEM201
|
3.1
|
53.2
|
1.0
|
C1A
|
H:HEM201
|
3.1
|
55.4
|
1.0
|
C4B
|
H:HEM201
|
3.1
|
54.5
|
1.0
|
CD2
|
H:HIS99
|
3.1
|
60.6
|
1.0
|
CHD
|
H:HEM201
|
3.4
|
53.1
|
1.0
|
CHB
|
H:HEM201
|
3.4
|
53.8
|
1.0
|
CHA
|
H:HEM201
|
3.4
|
57.2
|
1.0
|
CHC
|
H:HEM201
|
3.4
|
54.3
|
1.0
|
ND1
|
H:HIS99
|
4.2
|
59.5
|
1.0
|
CG
|
H:HIS99
|
4.2
|
62.0
|
1.0
|
C3A
|
H:HEM201
|
4.3
|
54.1
|
1.0
|
C2A
|
H:HEM201
|
4.3
|
55.3
|
1.0
|
C2C
|
H:HEM201
|
4.3
|
53.0
|
1.0
|
C3D
|
H:HEM201
|
4.3
|
57.8
|
1.0
|
C2D
|
H:HEM201
|
4.3
|
57.1
|
1.0
|
C2B
|
H:HEM201
|
4.3
|
54.3
|
1.0
|
C3B
|
H:HEM201
|
4.3
|
55.7
|
1.0
|
C3C
|
H:HEM201
|
4.3
|
53.7
|
1.0
|
CG2
|
H:VAL71
|
4.7
|
41.2
|
1.0
|
CG1
|
H:VAL71
|
4.9
|
39.5
|
1.0
|
CE1
|
H:HIS67
|
4.9
|
42.7
|
1.0
|
|
Reference:
N.Numoto,
T.Nakagawa,
R.Ohara,
T.Hasegawa,
A.Kita,
T.Yoshida,
T.Maruyama,
K.Imai,
Y.Fukumori,
K.Miki.
The Structure of A Deoxygenated 400 kDa Haemoglobin Reveals Ternary- and Quaternary-Structural Changes of Giant Haemoglobins Acta Crystallogr.,Sect.D V. 70 1823 2014.
ISSN: ISSN 0907-4449
PubMed: 25004960
DOI: 10.1107/S1399004714008475
Page generated: Sun Aug 4 22:35:25 2024
|