Iron in PDB 1sdl: Cross-Linked, Carbonmonoxy Hemoglobin A
Protein crystallography data
The structure of Cross-Linked, Carbonmonoxy Hemoglobin A, PDB code: 1sdl
was solved by
M.A.Schumacher,
M.M.Dixon,
R.Kluger,
R.T.Jones,
R.G.Brennan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
N/A /
1.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.430,
72.160,
88.030,
90.00,
108.25,
90.00
|
R / Rfree (%)
|
n/a /
n/a
|
Iron Binding Sites:
The binding sites of Iron atom in the Cross-Linked, Carbonmonoxy Hemoglobin A
(pdb code 1sdl). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Cross-Linked, Carbonmonoxy Hemoglobin A, PDB code: 1sdl:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1sdl
Go back to
Iron Binding Sites List in 1sdl
Iron binding site 1 out
of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe200
b:7.2
occ:1.00
|
FE
|
A:HEM200
|
0.0
|
7.2
|
1.0
|
C
|
A:CMO201
|
1.7
|
1.0
|
1.0
|
NE2
|
A:HIS87
|
2.0
|
6.8
|
1.0
|
NB
|
A:HEM200
|
2.0
|
8.0
|
1.0
|
ND
|
A:HEM200
|
2.0
|
7.7
|
1.0
|
NA
|
A:HEM200
|
2.0
|
6.6
|
1.0
|
NC
|
A:HEM200
|
2.1
|
5.0
|
1.0
|
O
|
A:CMO201
|
2.9
|
12.6
|
1.0
|
CE1
|
A:HIS87
|
2.9
|
14.1
|
1.0
|
C4B
|
A:HEM200
|
3.0
|
9.4
|
1.0
|
C1A
|
A:HEM200
|
3.1
|
7.3
|
1.0
|
C4D
|
A:HEM200
|
3.1
|
10.2
|
1.0
|
C1B
|
A:HEM200
|
3.1
|
8.0
|
1.0
|
C1D
|
A:HEM200
|
3.1
|
30.1
|
1.0
|
CD2
|
A:HIS87
|
3.1
|
11.4
|
1.0
|
C4A
|
A:HEM200
|
3.1
|
13.6
|
1.0
|
C1C
|
A:HEM200
|
3.1
|
5.6
|
1.0
|
C4C
|
A:HEM200
|
3.1
|
13.0
|
1.0
|
CHA
|
A:HEM200
|
3.4
|
7.6
|
1.0
|
CHC
|
A:HEM200
|
3.4
|
4.9
|
1.0
|
CHD
|
A:HEM200
|
3.4
|
11.2
|
1.0
|
CHB
|
A:HEM200
|
3.5
|
5.1
|
1.0
|
ND1
|
A:HIS87
|
4.1
|
7.8
|
1.0
|
CG
|
A:HIS87
|
4.2
|
4.4
|
1.0
|
C3B
|
A:HEM200
|
4.3
|
8.8
|
1.0
|
C2B
|
A:HEM200
|
4.3
|
14.4
|
1.0
|
C2A
|
A:HEM200
|
4.3
|
19.7
|
1.0
|
C3D
|
A:HEM200
|
4.3
|
18.9
|
1.0
|
C3A
|
A:HEM200
|
4.3
|
13.8
|
1.0
|
C2D
|
A:HEM200
|
4.3
|
10.7
|
1.0
|
C2C
|
A:HEM200
|
4.3
|
3.2
|
1.0
|
C3C
|
A:HEM200
|
4.3
|
2.8
|
1.0
|
NE2
|
A:HIS58
|
4.4
|
18.9
|
1.0
|
CG2
|
A:VAL62
|
4.9
|
9.4
|
1.0
|
|
Iron binding site 2 out
of 4 in 1sdl
Go back to
Iron Binding Sites List in 1sdl
Iron binding site 2 out
of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe200
b:9.2
occ:1.00
|
FE
|
B:HEM200
|
0.0
|
9.2
|
1.0
|
C
|
B:CMO201
|
1.8
|
1.3
|
1.0
|
NC
|
B:HEM200
|
2.0
|
4.6
|
1.0
|
ND
|
B:HEM200
|
2.0
|
5.2
|
1.0
|
NA
|
B:HEM200
|
2.0
|
12.1
|
1.0
|
NB
|
B:HEM200
|
2.1
|
2.4
|
1.0
|
NE2
|
B:HIS92
|
2.1
|
7.9
|
1.0
|
O
|
B:CMO201
|
2.9
|
15.8
|
1.0
|
C1C
|
B:HEM200
|
3.0
|
9.0
|
1.0
|
CE1
|
B:HIS92
|
3.0
|
1.0
|
1.0
|
C4C
|
B:HEM200
|
3.0
|
7.8
|
1.0
|
C1D
|
B:HEM200
|
3.0
|
17.5
|
1.0
|
C4D
|
B:HEM200
|
3.1
|
7.9
|
1.0
|
C1A
|
B:HEM200
|
3.1
|
8.2
|
1.0
|
C4B
|
B:HEM200
|
3.1
|
9.4
|
1.0
|
C4A
|
B:HEM200
|
3.1
|
8.6
|
1.0
|
C1B
|
B:HEM200
|
3.1
|
14.6
|
1.0
|
CD2
|
B:HIS92
|
3.3
|
7.6
|
1.0
|
CHC
|
B:HEM200
|
3.4
|
1.0
|
1.0
|
CHD
|
B:HEM200
|
3.4
|
4.8
|
1.0
|
CHA
|
B:HEM200
|
3.4
|
7.4
|
1.0
|
CHB
|
B:HEM200
|
3.5
|
9.7
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
5.4
|
1.0
|
C3C
|
B:HEM200
|
4.2
|
7.2
|
1.0
|
C2C
|
B:HEM200
|
4.2
|
15.7
|
1.0
|
C3D
|
B:HEM200
|
4.3
|
8.7
|
1.0
|
C2D
|
B:HEM200
|
4.3
|
3.6
|
1.0
|
C2A
|
B:HEM200
|
4.3
|
7.5
|
1.0
|
CG
|
B:HIS92
|
4.3
|
5.8
|
1.0
|
C3A
|
B:HEM200
|
4.3
|
11.6
|
1.0
|
C3B
|
B:HEM200
|
4.3
|
9.0
|
1.0
|
C2B
|
B:HEM200
|
4.3
|
5.9
|
1.0
|
NE2
|
B:HIS63
|
4.4
|
18.5
|
1.0
|
CG2
|
B:VAL67
|
4.8
|
7.4
|
1.0
|
|
Iron binding site 3 out
of 4 in 1sdl
Go back to
Iron Binding Sites List in 1sdl
Iron binding site 3 out
of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe200
b:10.1
occ:1.00
|
FE
|
C:HEM200
|
0.0
|
10.1
|
1.0
|
C
|
C:CMO201
|
1.9
|
7.0
|
1.0
|
NA
|
C:HEM200
|
2.0
|
11.6
|
1.0
|
NE2
|
C:HIS87
|
2.0
|
2.6
|
1.0
|
NB
|
C:HEM200
|
2.0
|
4.6
|
1.0
|
ND
|
C:HEM200
|
2.0
|
10.8
|
1.0
|
NC
|
C:HEM200
|
2.1
|
5.5
|
1.0
|
CE1
|
C:HIS87
|
3.0
|
15.9
|
1.0
|
O
|
C:CMO201
|
3.0
|
21.0
|
1.0
|
CD2
|
C:HIS87
|
3.0
|
7.9
|
1.0
|
C1A
|
C:HEM200
|
3.0
|
11.9
|
1.0
|
C4B
|
C:HEM200
|
3.0
|
6.7
|
1.0
|
C4A
|
C:HEM200
|
3.0
|
17.5
|
1.0
|
C4D
|
C:HEM200
|
3.1
|
9.7
|
1.0
|
C1B
|
C:HEM200
|
3.1
|
11.0
|
1.0
|
C1C
|
C:HEM200
|
3.1
|
11.8
|
1.0
|
C4C
|
C:HEM200
|
3.1
|
8.0
|
1.0
|
C1D
|
C:HEM200
|
3.1
|
9.0
|
1.0
|
CHC
|
C:HEM200
|
3.4
|
6.5
|
1.0
|
CHA
|
C:HEM200
|
3.4
|
5.4
|
1.0
|
CHB
|
C:HEM200
|
3.4
|
11.8
|
1.0
|
CHD
|
C:HEM200
|
3.5
|
11.1
|
1.0
|
ND1
|
C:HIS87
|
4.2
|
6.8
|
1.0
|
CG
|
C:HIS87
|
4.2
|
5.0
|
1.0
|
C3B
|
C:HEM200
|
4.2
|
4.5
|
1.0
|
C2A
|
C:HEM200
|
4.2
|
15.6
|
1.0
|
C3A
|
C:HEM200
|
4.3
|
20.9
|
1.0
|
C2B
|
C:HEM200
|
4.3
|
6.4
|
1.0
|
C3D
|
C:HEM200
|
4.3
|
14.2
|
1.0
|
C2D
|
C:HEM200
|
4.3
|
8.5
|
1.0
|
NE2
|
C:HIS58
|
4.3
|
18.1
|
1.0
|
C3C
|
C:HEM200
|
4.3
|
4.3
|
1.0
|
C2C
|
C:HEM200
|
4.3
|
5.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 1sdl
Go back to
Iron Binding Sites List in 1sdl
Iron binding site 4 out
of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe200
b:9.5
occ:1.00
|
FE
|
D:HEM200
|
0.0
|
9.5
|
1.0
|
C
|
D:CMO201
|
1.7
|
5.9
|
1.0
|
NC
|
D:HEM200
|
2.0
|
4.7
|
1.0
|
ND
|
D:HEM200
|
2.0
|
11.6
|
1.0
|
NB
|
D:HEM200
|
2.1
|
8.2
|
1.0
|
NA
|
D:HEM200
|
2.1
|
4.5
|
1.0
|
NE2
|
D:HIS92
|
2.1
|
7.0
|
1.0
|
O
|
D:CMO201
|
2.8
|
13.4
|
1.0
|
CE1
|
D:HIS92
|
2.9
|
7.2
|
1.0
|
C1C
|
D:HEM200
|
3.0
|
2.1
|
1.0
|
C4C
|
D:HEM200
|
3.0
|
14.5
|
1.0
|
C4D
|
D:HEM200
|
3.0
|
8.9
|
1.0
|
C1D
|
D:HEM200
|
3.0
|
7.6
|
1.0
|
C1A
|
D:HEM200
|
3.1
|
13.0
|
1.0
|
C4B
|
D:HEM200
|
3.1
|
7.9
|
1.0
|
C1B
|
D:HEM200
|
3.1
|
6.8
|
1.0
|
C4A
|
D:HEM200
|
3.1
|
10.1
|
1.0
|
CD2
|
D:HIS92
|
3.2
|
10.6
|
1.0
|
CHC
|
D:HEM200
|
3.4
|
9.0
|
1.0
|
CHA
|
D:HEM200
|
3.4
|
6.0
|
1.0
|
CHD
|
D:HEM200
|
3.4
|
8.0
|
1.0
|
CHB
|
D:HEM200
|
3.5
|
10.8
|
1.0
|
ND1
|
D:HIS92
|
4.1
|
8.2
|
1.0
|
C2C
|
D:HEM200
|
4.2
|
5.2
|
1.0
|
C3C
|
D:HEM200
|
4.2
|
3.9
|
1.0
|
CG
|
D:HIS92
|
4.3
|
6.0
|
1.0
|
C3D
|
D:HEM200
|
4.3
|
8.9
|
1.0
|
C2D
|
D:HEM200
|
4.3
|
15.3
|
1.0
|
C2A
|
D:HEM200
|
4.3
|
14.3
|
1.0
|
C3A
|
D:HEM200
|
4.3
|
11.7
|
1.0
|
C2B
|
D:HEM200
|
4.3
|
9.3
|
1.0
|
C3B
|
D:HEM200
|
4.3
|
4.4
|
1.0
|
NE2
|
D:HIS63
|
4.4
|
14.7
|
1.0
|
CG2
|
D:VAL67
|
4.7
|
9.9
|
1.0
|
|
Reference:
M.A.Schumacher,
M.M.Dixon,
R.Kluger,
R.T.Jones,
R.G.Brennan.
Allosteric Transition Intermediates Modelled By Crosslinked Haemoglobins. Nature V. 375 84 1995.
ISSN: ISSN 0028-0836
PubMed: 7723849
DOI: 10.1038/375084A0
Page generated: Sat Aug 3 14:41:19 2024
|