Iron in PDB 2hbs: The High Resolution Crystal Structure of Deoxyhemoglobin S
Protein crystallography data
The structure of The High Resolution Crystal Structure of Deoxyhemoglobin S, PDB code: 2hbs
was solved by
D.J.Harrington,
K.Adachi,
W.E.Royer Junior,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
10.00 /
2.05
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.344,
185.681,
52.933,
90.00,
92.74,
90.00
|
|
R / Rfree (%)
|
16.5 /
21.5
|
Iron Binding Sites:
The binding sites of Iron atom in the The High Resolution Crystal Structure of Deoxyhemoglobin S
(pdb code 2hbs). 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 High Resolution Crystal Structure of Deoxyhemoglobin S, PDB code: 2hbs:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 1 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe153
b:16.3
occ:1.00
|
FE
|
A:HEM153
|
0.0
|
16.3
|
1.0
|
|
ND
|
A:HEM153
|
1.9
|
19.3
|
1.0
|
|
NA
|
A:HEM153
|
2.0
|
19.3
|
1.0
|
|
NB
|
A:HEM153
|
2.0
|
17.6
|
1.0
|
|
NC
|
A:HEM153
|
2.1
|
20.5
|
1.0
|
|
NE2
|
A:HIS87
|
2.5
|
13.0
|
1.0
|
|
C1A
|
A:HEM153
|
3.0
|
18.7
|
1.0
|
|
C4D
|
A:HEM153
|
3.0
|
20.9
|
1.0
|
|
C1D
|
A:HEM153
|
3.0
|
18.7
|
1.0
|
|
C4A
|
A:HEM153
|
3.0
|
18.8
|
1.0
|
|
C4B
|
A:HEM153
|
3.0
|
17.7
|
1.0
|
|
C1B
|
A:HEM153
|
3.1
|
14.9
|
1.0
|
|
C4C
|
A:HEM153
|
3.1
|
17.1
|
1.0
|
|
C1C
|
A:HEM153
|
3.1
|
15.1
|
1.0
|
|
CE1
|
A:HIS87
|
3.2
|
11.6
|
1.0
|
|
O
|
A:HOH289
|
3.3
|
30.5
|
1.0
|
|
CHA
|
A:HEM153
|
3.4
|
17.1
|
1.0
|
|
CHB
|
A:HEM153
|
3.4
|
14.1
|
1.0
|
|
CHD
|
A:HEM153
|
3.4
|
17.6
|
1.0
|
|
CHC
|
A:HEM153
|
3.5
|
16.7
|
1.0
|
|
CD2
|
A:HIS87
|
3.6
|
12.0
|
1.0
|
|
C2A
|
A:HEM153
|
4.2
|
22.2
|
1.0
|
|
C3B
|
A:HEM153
|
4.3
|
16.8
|
1.0
|
|
C2D
|
A:HEM153
|
4.3
|
17.8
|
1.0
|
|
C3D
|
A:HEM153
|
4.3
|
20.4
|
1.0
|
|
C2B
|
A:HEM153
|
4.3
|
16.1
|
1.0
|
|
C3A
|
A:HEM153
|
4.3
|
19.5
|
1.0
|
|
CD1
|
A:LEU91
|
4.4
|
21.2
|
1.0
|
|
ND1
|
A:HIS87
|
4.4
|
11.6
|
1.0
|
|
C3C
|
A:HEM153
|
4.4
|
13.9
|
1.0
|
|
C2C
|
A:HEM153
|
4.4
|
15.7
|
1.0
|
|
CG
|
A:HIS87
|
4.5
|
13.1
|
1.0
|
|
NE2
|
A:HIS58
|
4.6
|
14.9
|
1.0
|
|
CE1
|
A:HIS58
|
4.7
|
14.1
|
1.0
|
|
Iron binding site 2 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 2 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe153
b:13.1
occ:1.00
|
FE
|
B:HEM153
|
0.0
|
13.1
|
1.0
|
|
ND
|
B:HEM153
|
2.0
|
11.3
|
1.0
|
|
NB
|
B:HEM153
|
2.0
|
11.8
|
1.0
|
|
NA
|
B:HEM153
|
2.0
|
10.9
|
1.0
|
|
NC
|
B:HEM153
|
2.1
|
15.2
|
1.0
|
|
NE2
|
B:HIS92
|
2.4
|
6.4
|
1.0
|
|
C4D
|
B:HEM153
|
3.0
|
12.3
|
1.0
|
|
C1D
|
B:HEM153
|
3.0
|
14.9
|
1.0
|
|
C1A
|
B:HEM153
|
3.1
|
10.5
|
1.0
|
|
C4B
|
B:HEM153
|
3.1
|
12.6
|
1.0
|
|
C4A
|
B:HEM153
|
3.1
|
10.8
|
1.0
|
|
CE1
|
B:HIS92
|
3.1
|
8.4
|
1.0
|
|
C1B
|
B:HEM153
|
3.1
|
13.3
|
1.0
|
|
C1C
|
B:HEM153
|
3.1
|
13.8
|
1.0
|
|
C4C
|
B:HEM153
|
3.2
|
13.6
|
1.0
|
|
CD2
|
B:HIS92
|
3.3
|
5.3
|
1.0
|
|
CHA
|
B:HEM153
|
3.4
|
10.4
|
1.0
|
|
CHC
|
B:HEM153
|
3.5
|
10.9
|
1.0
|
|
CHD
|
B:HEM153
|
3.5
|
13.0
|
1.0
|
|
CHB
|
B:HEM153
|
3.5
|
9.0
|
1.0
|
|
NE2
|
B:HIS63
|
4.2
|
15.4
|
1.0
|
|
C2D
|
B:HEM153
|
4.2
|
14.1
|
1.0
|
|
C3D
|
B:HEM153
|
4.2
|
14.9
|
1.0
|
|
ND1
|
B:HIS92
|
4.3
|
8.7
|
1.0
|
|
CG
|
B:HIS92
|
4.3
|
4.1
|
1.0
|
|
C3B
|
B:HEM153
|
4.3
|
13.5
|
1.0
|
|
C2A
|
B:HEM153
|
4.3
|
13.3
|
1.0
|
|
C2B
|
B:HEM153
|
4.3
|
12.4
|
1.0
|
|
C3A
|
B:HEM153
|
4.4
|
10.6
|
1.0
|
|
CG2
|
B:VAL67
|
4.4
|
8.6
|
1.0
|
|
C3C
|
B:HEM153
|
4.4
|
12.2
|
1.0
|
|
C2C
|
B:HEM153
|
4.4
|
16.0
|
1.0
|
|
CE1
|
B:HIS63
|
4.5
|
15.1
|
1.0
|
|
CD1
|
B:LEU96
|
4.9
|
7.9
|
1.0
|
|
Iron binding site 3 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 3 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe153
b:14.5
occ:1.00
|
FE
|
C:HEM153
|
0.0
|
14.5
|
1.0
|
|
ND
|
C:HEM153
|
2.0
|
12.3
|
1.0
|
|
NA
|
C:HEM153
|
2.0
|
16.7
|
1.0
|
|
NC
|
C:HEM153
|
2.0
|
12.0
|
1.0
|
|
NB
|
C:HEM153
|
2.0
|
13.1
|
1.0
|
|
NE2
|
C:HIS87
|
2.4
|
6.7
|
1.0
|
|
C4D
|
C:HEM153
|
3.0
|
11.5
|
1.0
|
|
C1A
|
C:HEM153
|
3.0
|
15.5
|
1.0
|
|
C4B
|
C:HEM153
|
3.0
|
12.4
|
1.0
|
|
C1D
|
C:HEM153
|
3.0
|
10.8
|
1.0
|
|
C1C
|
C:HEM153
|
3.1
|
13.2
|
1.0
|
|
CE1
|
C:HIS87
|
3.1
|
10.8
|
1.0
|
|
C4C
|
C:HEM153
|
3.1
|
10.3
|
1.0
|
|
C4A
|
C:HEM153
|
3.1
|
7.6
|
1.0
|
|
C1B
|
C:HEM153
|
3.1
|
10.6
|
1.0
|
|
CD2
|
C:HIS87
|
3.3
|
10.3
|
1.0
|
|
CHA
|
C:HEM153
|
3.3
|
11.0
|
1.0
|
|
CHC
|
C:HEM153
|
3.4
|
13.4
|
1.0
|
|
CHD
|
C:HEM153
|
3.4
|
13.3
|
1.0
|
|
CHB
|
C:HEM153
|
3.5
|
10.6
|
1.0
|
|
O
|
C:HOH335
|
3.5
|
21.6
|
1.0
|
|
C2A
|
C:HEM153
|
4.2
|
15.1
|
1.0
|
|
C3D
|
C:HEM153
|
4.2
|
15.0
|
1.0
|
|
ND1
|
C:HIS87
|
4.3
|
11.4
|
1.0
|
|
C2D
|
C:HEM153
|
4.3
|
12.6
|
1.0
|
|
C3B
|
C:HEM153
|
4.3
|
9.9
|
1.0
|
|
C2C
|
C:HEM153
|
4.3
|
10.4
|
1.0
|
|
C3A
|
C:HEM153
|
4.3
|
8.9
|
1.0
|
|
CG
|
C:HIS87
|
4.3
|
7.8
|
1.0
|
|
C3C
|
C:HEM153
|
4.3
|
12.5
|
1.0
|
|
C2B
|
C:HEM153
|
4.3
|
9.4
|
1.0
|
|
CD1
|
C:LEU91
|
4.6
|
10.5
|
1.0
|
|
NE2
|
C:HIS58
|
4.6
|
12.7
|
1.0
|
|
CE1
|
C:HIS58
|
4.9
|
9.6
|
1.0
|
|
Iron binding site 4 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 4 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe153
b:19.2
occ:1.00
|
FE
|
D:HEM153
|
0.0
|
19.2
|
1.0
|
|
NA
|
D:HEM153
|
2.0
|
21.3
|
1.0
|
|
ND
|
D:HEM153
|
2.0
|
20.2
|
1.0
|
|
NB
|
D:HEM153
|
2.0
|
17.5
|
1.0
|
|
NC
|
D:HEM153
|
2.0
|
14.9
|
1.0
|
|
NE2
|
D:HIS92
|
2.6
|
8.4
|
1.0
|
|
C1A
|
D:HEM153
|
3.0
|
21.1
|
1.0
|
|
C4A
|
D:HEM153
|
3.0
|
20.3
|
1.0
|
|
C4D
|
D:HEM153
|
3.0
|
18.0
|
1.0
|
|
C4B
|
D:HEM153
|
3.1
|
16.2
|
1.0
|
|
C1C
|
D:HEM153
|
3.1
|
14.3
|
1.0
|
|
C1B
|
D:HEM153
|
3.1
|
13.4
|
1.0
|
|
C1D
|
D:HEM153
|
3.1
|
15.9
|
1.0
|
|
C4C
|
D:HEM153
|
3.1
|
13.7
|
1.0
|
|
CE1
|
D:HIS92
|
3.3
|
7.1
|
1.0
|
|
CHA
|
D:HEM153
|
3.4
|
18.2
|
1.0
|
|
CHC
|
D:HEM153
|
3.4
|
14.7
|
1.0
|
|
CHB
|
D:HEM153
|
3.4
|
16.5
|
1.0
|
|
CD2
|
D:HIS92
|
3.5
|
6.2
|
1.0
|
|
CHD
|
D:HEM153
|
3.5
|
14.7
|
1.0
|
|
CG1
|
D:VAL67
|
4.0
|
10.1
|
1.0
|
|
C2A
|
D:HEM153
|
4.3
|
23.0
|
1.0
|
|
C3A
|
D:HEM153
|
4.3
|
20.3
|
1.0
|
|
C3D
|
D:HEM153
|
4.3
|
20.8
|
1.0
|
|
C2C
|
D:HEM153
|
4.3
|
13.3
|
1.0
|
|
C3B
|
D:HEM153
|
4.3
|
18.5
|
1.0
|
|
NE2
|
D:HIS63
|
4.3
|
23.7
|
1.0
|
|
C2B
|
D:HEM153
|
4.3
|
16.5
|
1.0
|
|
C2D
|
D:HEM153
|
4.4
|
18.3
|
1.0
|
|
C3C
|
D:HEM153
|
4.4
|
14.2
|
1.0
|
|
ND1
|
D:HIS92
|
4.5
|
11.4
|
1.0
|
|
CG
|
D:HIS92
|
4.5
|
6.5
|
1.0
|
|
CE1
|
D:HIS63
|
4.7
|
19.9
|
1.0
|
|
CB
|
D:VAL67
|
4.8
|
14.4
|
1.0
|
|
CD1
|
D:LEU96
|
4.9
|
18.3
|
1.0
|
|
Iron binding site 5 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 5 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe153
b:18.0
occ:1.00
|
FE
|
E:HEM153
|
0.0
|
18.0
|
1.0
|
|
ND
|
E:HEM153
|
2.0
|
19.1
|
1.0
|
|
NA
|
E:HEM153
|
2.0
|
21.2
|
1.0
|
|
NB
|
E:HEM153
|
2.0
|
17.0
|
1.0
|
|
NC
|
E:HEM153
|
2.1
|
18.5
|
1.0
|
|
NE2
|
E:HIS87
|
2.6
|
17.0
|
1.0
|
|
C4D
|
E:HEM153
|
3.0
|
20.2
|
1.0
|
|
C1D
|
E:HEM153
|
3.1
|
20.5
|
1.0
|
|
C1A
|
E:HEM153
|
3.1
|
22.0
|
1.0
|
|
C1B
|
E:HEM153
|
3.1
|
17.1
|
1.0
|
|
C4B
|
E:HEM153
|
3.1
|
15.8
|
1.0
|
|
C4A
|
E:HEM153
|
3.1
|
21.8
|
1.0
|
|
C4C
|
E:HEM153
|
3.1
|
15.1
|
1.0
|
|
C1C
|
E:HEM153
|
3.1
|
15.2
|
1.0
|
|
CE1
|
E:HIS87
|
3.4
|
15.2
|
1.0
|
|
CHA
|
E:HEM153
|
3.4
|
21.7
|
1.0
|
|
CHD
|
E:HEM153
|
3.4
|
19.0
|
1.0
|
|
CHB
|
E:HEM153
|
3.4
|
21.2
|
1.0
|
|
CHC
|
E:HEM153
|
3.5
|
13.5
|
1.0
|
|
CD2
|
E:HIS87
|
3.6
|
14.4
|
1.0
|
|
O
|
E:HOH228
|
3.7
|
24.6
|
1.0
|
|
C3D
|
E:HEM153
|
4.2
|
19.7
|
1.0
|
|
C2D
|
E:HEM153
|
4.3
|
21.0
|
1.0
|
|
C3B
|
E:HEM153
|
4.3
|
17.0
|
1.0
|
|
C2A
|
E:HEM153
|
4.3
|
25.3
|
1.0
|
|
C2B
|
E:HEM153
|
4.3
|
16.3
|
1.0
|
|
C3A
|
E:HEM153
|
4.4
|
22.2
|
1.0
|
|
C2C
|
E:HEM153
|
4.4
|
12.1
|
1.0
|
|
C3C
|
E:HEM153
|
4.4
|
14.6
|
1.0
|
|
CD1
|
E:LEU91
|
4.5
|
10.7
|
1.0
|
|
NE2
|
E:HIS58
|
4.5
|
24.0
|
1.0
|
|
ND1
|
E:HIS87
|
4.6
|
14.3
|
1.0
|
|
CG
|
E:HIS87
|
4.6
|
15.7
|
1.0
|
|
CE1
|
E:HIS58
|
4.8
|
21.8
|
1.0
|
|
CG2
|
E:VAL62
|
4.8
|
12.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 6 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe153
b:13.1
occ:1.00
|
FE
|
F:HEM153
|
0.0
|
13.1
|
1.0
|
|
ND
|
F:HEM153
|
2.0
|
13.5
|
1.0
|
|
NB
|
F:HEM153
|
2.0
|
14.2
|
1.0
|
|
NC
|
F:HEM153
|
2.0
|
17.5
|
1.0
|
|
NA
|
F:HEM153
|
2.1
|
15.5
|
1.0
|
|
NE2
|
F:HIS92
|
2.5
|
9.2
|
1.0
|
|
C1D
|
F:HEM153
|
3.1
|
16.6
|
1.0
|
|
C1B
|
F:HEM153
|
3.1
|
17.8
|
1.0
|
|
C4C
|
F:HEM153
|
3.1
|
16.3
|
1.0
|
|
C4D
|
F:HEM153
|
3.1
|
16.4
|
1.0
|
|
C1A
|
F:HEM153
|
3.1
|
16.3
|
1.0
|
|
C1C
|
F:HEM153
|
3.1
|
15.6
|
1.0
|
|
C4B
|
F:HEM153
|
3.1
|
14.2
|
1.0
|
|
C4A
|
F:HEM153
|
3.1
|
15.2
|
1.0
|
|
CE1
|
F:HIS92
|
3.2
|
7.5
|
1.0
|
|
CD2
|
F:HIS92
|
3.4
|
8.7
|
1.0
|
|
CHD
|
F:HEM153
|
3.4
|
15.9
|
1.0
|
|
CHA
|
F:HEM153
|
3.5
|
13.6
|
1.0
|
|
CHC
|
F:HEM153
|
3.5
|
12.4
|
1.0
|
|
CHB
|
F:HEM153
|
3.5
|
14.0
|
1.0
|
|
NE2
|
F:HIS63
|
4.3
|
11.6
|
1.0
|
|
C2D
|
F:HEM153
|
4.3
|
16.5
|
1.0
|
|
C3D
|
F:HEM153
|
4.3
|
18.0
|
1.0
|
|
C3C
|
F:HEM153
|
4.3
|
16.2
|
1.0
|
|
ND1
|
F:HIS92
|
4.3
|
10.9
|
1.0
|
|
C2B
|
F:HEM153
|
4.4
|
14.6
|
1.0
|
|
C2C
|
F:HEM153
|
4.4
|
18.8
|
1.0
|
|
C2A
|
F:HEM153
|
4.4
|
19.3
|
1.0
|
|
C3B
|
F:HEM153
|
4.4
|
12.6
|
1.0
|
|
C3A
|
F:HEM153
|
4.4
|
16.3
|
1.0
|
|
CG2
|
F:VAL67
|
4.4
|
12.8
|
1.0
|
|
CG
|
F:HIS92
|
4.4
|
7.1
|
1.0
|
|
CE1
|
F:HIS63
|
4.6
|
12.7
|
1.0
|
|
CD1
|
F:LEU96
|
4.9
|
7.5
|
1.0
|
|
Iron binding site 7 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 7 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe153
b:16.2
occ:1.00
|
FE
|
G:HEM153
|
0.0
|
16.2
|
1.0
|
|
NC
|
G:HEM153
|
2.0
|
11.6
|
1.0
|
|
ND
|
G:HEM153
|
2.0
|
15.1
|
1.0
|
|
NA
|
G:HEM153
|
2.0
|
15.9
|
1.0
|
|
NB
|
G:HEM153
|
2.0
|
14.8
|
1.0
|
|
NE2
|
G:HIS87
|
2.5
|
4.7
|
1.0
|
|
C4D
|
G:HEM153
|
3.0
|
13.2
|
1.0
|
|
C1C
|
G:HEM153
|
3.0
|
9.3
|
1.0
|
|
C4C
|
G:HEM153
|
3.0
|
12.5
|
1.0
|
|
C1D
|
G:HEM153
|
3.0
|
12.2
|
1.0
|
|
C4B
|
G:HEM153
|
3.1
|
12.1
|
1.0
|
|
C1A
|
G:HEM153
|
3.1
|
16.6
|
1.0
|
|
C4A
|
G:HEM153
|
3.1
|
12.4
|
1.0
|
|
C1B
|
G:HEM153
|
3.1
|
12.2
|
1.0
|
|
CE1
|
G:HIS87
|
3.2
|
8.2
|
1.0
|
|
CHA
|
G:HEM153
|
3.4
|
10.5
|
1.0
|
|
CHC
|
G:HEM153
|
3.4
|
7.9
|
1.0
|
|
CHD
|
G:HEM153
|
3.4
|
11.4
|
1.0
|
|
O
|
G:HOH207
|
3.5
|
12.7
|
1.0
|
|
CHB
|
G:HEM153
|
3.5
|
15.8
|
1.0
|
|
CD2
|
G:HIS87
|
3.6
|
8.1
|
1.0
|
|
C2C
|
G:HEM153
|
4.3
|
10.4
|
1.0
|
|
C3D
|
G:HEM153
|
4.3
|
15.1
|
1.0
|
|
C3C
|
G:HEM153
|
4.3
|
10.4
|
1.0
|
|
C2D
|
G:HEM153
|
4.3
|
13.6
|
1.0
|
|
C3B
|
G:HEM153
|
4.3
|
13.1
|
1.0
|
|
C3A
|
G:HEM153
|
4.3
|
14.7
|
1.0
|
|
C2A
|
G:HEM153
|
4.4
|
18.9
|
1.0
|
|
C2B
|
G:HEM153
|
4.4
|
13.2
|
1.0
|
|
CD1
|
G:LEU91
|
4.4
|
9.5
|
1.0
|
|
NE2
|
G:HIS58
|
4.4
|
9.9
|
1.0
|
|
ND1
|
G:HIS87
|
4.4
|
7.9
|
1.0
|
|
CG
|
G:HIS87
|
4.6
|
6.8
|
1.0
|
|
CE1
|
G:HIS58
|
4.7
|
11.3
|
1.0
|
|
Iron binding site 8 out
of 8 in 2hbs
Go back to
Iron Binding Sites List in 2hbs
Iron binding site 8 out
of 8 in the The High Resolution Crystal Structure of Deoxyhemoglobin S
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of The High Resolution Crystal Structure of Deoxyhemoglobin S within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe153
b:15.2
occ:1.00
|
FE
|
H:HEM153
|
0.0
|
15.2
|
1.0
|
|
NA
|
H:HEM153
|
2.0
|
17.5
|
1.0
|
|
NB
|
H:HEM153
|
2.0
|
14.1
|
1.0
|
|
ND
|
H:HEM153
|
2.0
|
18.0
|
1.0
|
|
NC
|
H:HEM153
|
2.0
|
15.1
|
1.0
|
|
NE2
|
H:HIS92
|
2.4
|
7.5
|
1.0
|
|
C4A
|
H:HEM153
|
3.0
|
16.7
|
1.0
|
|
C1A
|
H:HEM153
|
3.0
|
18.8
|
1.0
|
|
C4B
|
H:HEM153
|
3.0
|
11.6
|
1.0
|
|
C1B
|
H:HEM153
|
3.1
|
10.1
|
1.0
|
|
C1C
|
H:HEM153
|
3.1
|
13.2
|
1.0
|
|
C4D
|
H:HEM153
|
3.1
|
16.8
|
1.0
|
|
C1D
|
H:HEM153
|
3.1
|
13.3
|
1.0
|
|
C4C
|
H:HEM153
|
3.1
|
11.0
|
1.0
|
|
CE1
|
H:HIS92
|
3.2
|
8.4
|
1.0
|
|
CD2
|
H:HIS92
|
3.3
|
9.6
|
1.0
|
|
CHC
|
H:HEM153
|
3.4
|
13.7
|
1.0
|
|
CHB
|
H:HEM153
|
3.4
|
12.3
|
1.0
|
|
CHA
|
H:HEM153
|
3.4
|
20.1
|
1.0
|
|
CHD
|
H:HEM153
|
3.5
|
14.9
|
1.0
|
|
CG2
|
H:VAL67
|
4.2
|
11.8
|
1.0
|
|
C2A
|
H:HEM153
|
4.2
|
19.4
|
1.0
|
|
C3A
|
H:HEM153
|
4.2
|
18.4
|
1.0
|
|
C3B
|
H:HEM153
|
4.3
|
13.3
|
1.0
|
|
C2B
|
H:HEM153
|
4.3
|
13.4
|
1.0
|
|
C2D
|
H:HEM153
|
4.3
|
14.4
|
1.0
|
|
C2C
|
H:HEM153
|
4.3
|
12.2
|
1.0
|
|
ND1
|
H:HIS92
|
4.3
|
8.7
|
1.0
|
|
C3D
|
H:HEM153
|
4.3
|
19.2
|
1.0
|
|
C3C
|
H:HEM153
|
4.4
|
10.8
|
1.0
|
|
CG
|
H:HIS92
|
4.4
|
6.1
|
1.0
|
|
NE2
|
H:HIS63
|
4.5
|
15.7
|
1.0
|
|
CE1
|
H:HIS63
|
4.7
|
16.8
|
1.0
|
|
CD1
|
H:LEU96
|
4.9
|
10.8
|
1.0
|
|
CE1
|
H:PHE103
|
4.9
|
17.6
|
1.0
|
|
Reference:
D.J.Harrington,
K.Adachi,
W.E.Royer Jr..
The High Resolution Crystal Structure of Deoxyhemoglobin S. J.Mol.Biol. V. 272 398 1997.
ISSN: ISSN 0022-2836
PubMed: 9325099
DOI: 10.1006/JMBI.1997.1253
Page generated: Sat Aug 3 22:54:48 2024
|
