Iron in PDB 1ouu: Carbonmonoxy Trout Hemoglobin I
Protein crystallography data
The structure of Carbonmonoxy Trout Hemoglobin I, PDB code: 1ouu
was solved by
J.Tame,
J.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
2.50
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.200,
79.800,
122.900,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.2 /
28.6
|
Iron Binding Sites:
The binding sites of Iron atom in the Carbonmonoxy Trout Hemoglobin I
(pdb code 1ouu). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Carbonmonoxy Trout Hemoglobin I, PDB code: 1ouu:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1ouu
Go back to
Iron Binding Sites List in 1ouu
Iron binding site 1 out
of 4 in the Carbonmonoxy Trout Hemoglobin I
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe143
b:22.5
occ:1.00
|
FE
|
A:HEM143
|
0.0
|
22.5
|
1.0
|
C
|
A:CMO144
|
1.9
|
24.4
|
1.0
|
NA
|
A:HEM143
|
2.0
|
20.8
|
1.0
|
NB
|
A:HEM143
|
2.0
|
23.9
|
1.0
|
ND
|
A:HEM143
|
2.0
|
21.5
|
1.0
|
NC
|
A:HEM143
|
2.0
|
22.7
|
1.0
|
NE2
|
A:HIS88
|
2.2
|
21.4
|
1.0
|
O
|
A:CMO144
|
3.0
|
26.9
|
1.0
|
C4A
|
A:HEM143
|
3.0
|
24.8
|
1.0
|
C1A
|
A:HEM143
|
3.0
|
20.1
|
1.0
|
C4D
|
A:HEM143
|
3.1
|
21.2
|
1.0
|
C4B
|
A:HEM143
|
3.1
|
21.4
|
1.0
|
C1B
|
A:HEM143
|
3.1
|
23.7
|
1.0
|
C1C
|
A:HEM143
|
3.1
|
23.3
|
1.0
|
C1D
|
A:HEM143
|
3.1
|
17.8
|
1.0
|
C4C
|
A:HEM143
|
3.1
|
21.8
|
1.0
|
CE1
|
A:HIS88
|
3.2
|
16.8
|
1.0
|
CD2
|
A:HIS88
|
3.2
|
12.3
|
1.0
|
CHA
|
A:HEM143
|
3.4
|
22.0
|
1.0
|
CHC
|
A:HEM143
|
3.4
|
20.5
|
1.0
|
CHB
|
A:HEM143
|
3.4
|
24.1
|
1.0
|
CHD
|
A:HEM143
|
3.4
|
17.6
|
1.0
|
C2A
|
A:HEM143
|
4.2
|
23.9
|
1.0
|
C3A
|
A:HEM143
|
4.2
|
24.0
|
1.0
|
C3D
|
A:HEM143
|
4.3
|
21.4
|
1.0
|
ND1
|
A:HIS88
|
4.3
|
19.8
|
1.0
|
C3B
|
A:HEM143
|
4.3
|
24.3
|
1.0
|
C2B
|
A:HEM143
|
4.3
|
24.0
|
1.0
|
C2D
|
A:HEM143
|
4.3
|
18.0
|
1.0
|
C2C
|
A:HEM143
|
4.3
|
20.7
|
1.0
|
C3C
|
A:HEM143
|
4.3
|
18.5
|
1.0
|
NE2
|
A:HIS59
|
4.3
|
19.1
|
1.0
|
CG
|
A:HIS88
|
4.4
|
25.3
|
1.0
|
CE1
|
A:HIS59
|
4.9
|
18.9
|
1.0
|
CD1
|
A:LEU92
|
5.0
|
21.4
|
1.0
|
|
Iron binding site 2 out
of 4 in 1ouu
Go back to
Iron Binding Sites List in 1ouu
Iron binding site 2 out
of 4 in the Carbonmonoxy Trout Hemoglobin I
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe148
b:25.4
occ:1.00
|
FE
|
B:HEM148
|
0.0
|
25.4
|
1.0
|
C
|
B:CMO149
|
1.9
|
27.9
|
1.0
|
ND
|
B:HEM148
|
2.0
|
27.1
|
1.0
|
NA
|
B:HEM148
|
2.0
|
26.0
|
1.0
|
NB
|
B:HEM148
|
2.0
|
28.2
|
1.0
|
NC
|
B:HEM148
|
2.0
|
24.7
|
1.0
|
NE2
|
B:HIS92
|
2.2
|
26.0
|
1.0
|
O
|
B:CMO149
|
3.0
|
35.8
|
1.0
|
C4D
|
B:HEM148
|
3.0
|
31.7
|
1.0
|
C4A
|
B:HEM148
|
3.0
|
27.5
|
1.0
|
C1B
|
B:HEM148
|
3.1
|
28.2
|
1.0
|
C1D
|
B:HEM148
|
3.1
|
29.1
|
1.0
|
C1A
|
B:HEM148
|
3.1
|
25.4
|
1.0
|
C4B
|
B:HEM148
|
3.1
|
29.2
|
1.0
|
C4C
|
B:HEM148
|
3.1
|
24.4
|
1.0
|
C1C
|
B:HEM148
|
3.1
|
24.7
|
1.0
|
CE1
|
B:HIS92
|
3.1
|
37.3
|
1.0
|
CD2
|
B:HIS92
|
3.2
|
29.4
|
1.0
|
CHA
|
B:HEM148
|
3.4
|
27.5
|
1.0
|
CHD
|
B:HEM148
|
3.4
|
29.7
|
1.0
|
CHB
|
B:HEM148
|
3.4
|
29.5
|
1.0
|
CHC
|
B:HEM148
|
3.5
|
28.1
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
34.6
|
1.0
|
CG
|
B:HIS92
|
4.3
|
31.8
|
1.0
|
C3D
|
B:HEM148
|
4.3
|
33.9
|
1.0
|
C2A
|
B:HEM148
|
4.3
|
32.5
|
1.0
|
C3A
|
B:HEM148
|
4.3
|
30.1
|
1.0
|
C3B
|
B:HEM148
|
4.3
|
27.6
|
1.0
|
C2B
|
B:HEM148
|
4.3
|
29.6
|
1.0
|
C2D
|
B:HEM148
|
4.3
|
28.0
|
1.0
|
C3C
|
B:HEM148
|
4.3
|
24.8
|
1.0
|
C2C
|
B:HEM148
|
4.3
|
23.7
|
1.0
|
NE2
|
B:HIS63
|
4.4
|
33.6
|
1.0
|
CE
|
B:MET141
|
4.9
|
37.7
|
1.0
|
CG2
|
B:VAL67
|
5.0
|
27.1
|
1.0
|
CE1
|
B:HIS63
|
5.0
|
28.4
|
1.0
|
|
Iron binding site 3 out
of 4 in 1ouu
Go back to
Iron Binding Sites List in 1ouu
Iron binding site 3 out
of 4 in the Carbonmonoxy Trout Hemoglobin I
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe143
b:24.4
occ:1.00
|
FE
|
C:HEM143
|
0.0
|
24.4
|
1.0
|
C
|
C:CMO144
|
1.8
|
23.7
|
1.0
|
NC
|
C:HEM143
|
2.0
|
23.9
|
1.0
|
NB
|
C:HEM143
|
2.0
|
23.3
|
1.0
|
NA
|
C:HEM143
|
2.0
|
20.7
|
1.0
|
ND
|
C:HEM143
|
2.0
|
22.7
|
1.0
|
NE2
|
C:HIS88
|
2.3
|
20.0
|
1.0
|
O
|
C:CMO144
|
2.9
|
33.5
|
1.0
|
C4B
|
C:HEM143
|
3.0
|
24.0
|
1.0
|
C1C
|
C:HEM143
|
3.0
|
24.2
|
1.0
|
C4A
|
C:HEM143
|
3.0
|
19.4
|
1.0
|
C1A
|
C:HEM143
|
3.1
|
17.5
|
1.0
|
C4C
|
C:HEM143
|
3.1
|
22.8
|
1.0
|
C4D
|
C:HEM143
|
3.1
|
22.8
|
1.0
|
C1D
|
C:HEM143
|
3.1
|
23.8
|
1.0
|
C1B
|
C:HEM143
|
3.1
|
19.6
|
1.0
|
CD2
|
C:HIS88
|
3.2
|
25.7
|
1.0
|
CE1
|
C:HIS88
|
3.4
|
20.1
|
1.0
|
CHC
|
C:HEM143
|
3.4
|
21.4
|
1.0
|
CHA
|
C:HEM143
|
3.4
|
20.4
|
1.0
|
CHD
|
C:HEM143
|
3.4
|
23.2
|
1.0
|
CHB
|
C:HEM143
|
3.5
|
16.4
|
1.0
|
C2A
|
C:HEM143
|
4.3
|
19.4
|
1.0
|
C2C
|
C:HEM143
|
4.3
|
23.1
|
1.0
|
C3A
|
C:HEM143
|
4.3
|
20.2
|
1.0
|
C3C
|
C:HEM143
|
4.3
|
21.5
|
1.0
|
C3D
|
C:HEM143
|
4.3
|
25.0
|
1.0
|
C3B
|
C:HEM143
|
4.3
|
26.8
|
1.0
|
C2D
|
C:HEM143
|
4.3
|
24.6
|
1.0
|
C2B
|
C:HEM143
|
4.3
|
25.1
|
1.0
|
CG
|
C:HIS88
|
4.4
|
27.3
|
1.0
|
ND1
|
C:HIS88
|
4.4
|
23.4
|
1.0
|
NE2
|
C:HIS59
|
4.4
|
23.6
|
1.0
|
CD1
|
C:LEU92
|
4.9
|
23.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 1ouu
Go back to
Iron Binding Sites List in 1ouu
Iron binding site 4 out
of 4 in the Carbonmonoxy Trout Hemoglobin I
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe148
b:25.6
occ:1.00
|
FE
|
D:HEM148
|
0.0
|
25.6
|
1.0
|
C
|
D:CMO149
|
1.8
|
27.9
|
1.0
|
ND
|
D:HEM148
|
2.0
|
25.4
|
1.0
|
NA
|
D:HEM148
|
2.0
|
28.3
|
1.0
|
NC
|
D:HEM148
|
2.0
|
28.5
|
1.0
|
NB
|
D:HEM148
|
2.0
|
24.3
|
1.0
|
NE2
|
D:HIS92
|
2.2
|
29.6
|
1.0
|
O
|
D:CMO149
|
3.0
|
32.7
|
1.0
|
C4D
|
D:HEM148
|
3.0
|
27.9
|
1.0
|
C4A
|
D:HEM148
|
3.0
|
28.9
|
1.0
|
C1A
|
D:HEM148
|
3.0
|
29.6
|
1.0
|
C1D
|
D:HEM148
|
3.0
|
26.6
|
1.0
|
C4B
|
D:HEM148
|
3.1
|
23.6
|
1.0
|
C1B
|
D:HEM148
|
3.1
|
24.1
|
1.0
|
C4C
|
D:HEM148
|
3.1
|
27.0
|
1.0
|
C1C
|
D:HEM148
|
3.1
|
27.8
|
1.0
|
CD2
|
D:HIS92
|
3.1
|
32.8
|
1.0
|
CE1
|
D:HIS92
|
3.3
|
32.4
|
1.0
|
CHA
|
D:HEM148
|
3.4
|
29.1
|
1.0
|
CHC
|
D:HEM148
|
3.4
|
24.8
|
1.0
|
CHD
|
D:HEM148
|
3.5
|
24.5
|
1.0
|
CHB
|
D:HEM148
|
3.5
|
26.6
|
1.0
|
NE2
|
D:HIS63
|
4.1
|
33.5
|
1.0
|
C3D
|
D:HEM148
|
4.2
|
31.1
|
1.0
|
C3A
|
D:HEM148
|
4.2
|
30.6
|
1.0
|
C2A
|
D:HEM148
|
4.2
|
30.3
|
1.0
|
C2D
|
D:HEM148
|
4.3
|
26.4
|
1.0
|
C3B
|
D:HEM148
|
4.3
|
26.4
|
1.0
|
CG
|
D:HIS92
|
4.3
|
36.9
|
1.0
|
C2B
|
D:HEM148
|
4.3
|
26.3
|
1.0
|
C3C
|
D:HEM148
|
4.3
|
30.5
|
1.0
|
C2C
|
D:HEM148
|
4.3
|
29.9
|
1.0
|
ND1
|
D:HIS92
|
4.3
|
37.2
|
1.0
|
CG2
|
D:VAL67
|
4.8
|
17.0
|
1.0
|
CE1
|
D:HIS63
|
4.9
|
35.0
|
1.0
|
|
Reference:
J.R.Tame,
J.C.Wilson,
R.E.Weber.
The Crystal Structures of Trout Hb I in the Deoxy and Carbonmonoxy Forms. J.Mol.Biol. V. 259 749 1996.
ISSN: ISSN 0022-2836
PubMed: 8683580
DOI: 10.1006/JMBI.1996.0355
Page generated: Sat Aug 3 12:43:47 2024
|