Iron in PDB 1out: Trout Hemoglobin I
Protein crystallography data
The structure of Trout Hemoglobin I, PDB code: 1out
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 /
2.30
|
Space group
|
P 65 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.280,
63.280,
312.740,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
16.2 /
24.7
|
Iron Binding Sites:
The binding sites of Iron atom in the Trout Hemoglobin I
(pdb code 1out). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
Trout Hemoglobin I, PDB code: 1out:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 1out
Go back to
Iron Binding Sites List in 1out
Iron binding site 1 out
of 2 in the 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 Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe143
b:21.2
occ:1.00
|
FE
|
A:HEM143
|
0.0
|
21.2
|
1.0
|
ND
|
A:HEM143
|
2.0
|
22.2
|
1.0
|
NC
|
A:HEM143
|
2.0
|
16.7
|
1.0
|
NB
|
A:HEM143
|
2.0
|
17.8
|
1.0
|
NA
|
A:HEM143
|
2.1
|
21.9
|
1.0
|
NE2
|
A:HIS88
|
2.2
|
17.4
|
1.0
|
CE1
|
A:HIS88
|
3.0
|
19.5
|
1.0
|
C1C
|
A:HEM143
|
3.0
|
14.4
|
1.0
|
C1D
|
A:HEM143
|
3.0
|
23.1
|
1.0
|
C4D
|
A:HEM143
|
3.1
|
22.2
|
1.0
|
C4C
|
A:HEM143
|
3.1
|
16.9
|
1.0
|
C1A
|
A:HEM143
|
3.1
|
26.1
|
1.0
|
C4B
|
A:HEM143
|
3.1
|
16.4
|
1.0
|
C1B
|
A:HEM143
|
3.1
|
18.2
|
1.0
|
C4A
|
A:HEM143
|
3.1
|
19.2
|
1.0
|
CD2
|
A:HIS88
|
3.3
|
14.9
|
1.0
|
CHA
|
A:HEM143
|
3.4
|
21.2
|
1.0
|
CHC
|
A:HEM143
|
3.4
|
9.2
|
1.0
|
CHD
|
A:HEM143
|
3.5
|
15.3
|
1.0
|
CHB
|
A:HEM143
|
3.5
|
18.7
|
1.0
|
ND1
|
A:HIS88
|
4.2
|
17.2
|
1.0
|
NE2
|
A:HIS59
|
4.3
|
31.8
|
1.0
|
C3D
|
A:HEM143
|
4.3
|
24.2
|
1.0
|
C2D
|
A:HEM143
|
4.3
|
22.6
|
1.0
|
C2C
|
A:HEM143
|
4.3
|
17.1
|
1.0
|
C3C
|
A:HEM143
|
4.3
|
15.1
|
1.0
|
C3B
|
A:HEM143
|
4.3
|
14.1
|
1.0
|
C2B
|
A:HEM143
|
4.3
|
14.6
|
1.0
|
CD1
|
A:ILE63
|
4.3
|
28.5
|
1.0
|
C2A
|
A:HEM143
|
4.3
|
29.6
|
1.0
|
C3A
|
A:HEM143
|
4.3
|
26.2
|
1.0
|
CG
|
A:HIS88
|
4.4
|
14.4
|
1.0
|
CG1
|
A:ILE63
|
4.4
|
17.5
|
1.0
|
CD1
|
A:LEU92
|
4.7
|
28.7
|
1.0
|
CE1
|
A:HIS59
|
4.7
|
36.3
|
1.0
|
|
Iron binding site 2 out
of 2 in 1out
Go back to
Iron Binding Sites List in 1out
Iron binding site 2 out
of 2 in the 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 Trout Hemoglobin I within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe148
b:16.4
occ:1.00
|
FE
|
B:HEM148
|
0.0
|
16.4
|
1.0
|
NB
|
B:HEM148
|
2.0
|
18.3
|
1.0
|
NA
|
B:HEM148
|
2.0
|
20.3
|
1.0
|
ND
|
B:HEM148
|
2.0
|
20.7
|
1.0
|
NC
|
B:HEM148
|
2.0
|
15.8
|
1.0
|
NE2
|
B:HIS92
|
2.1
|
13.1
|
1.0
|
CE1
|
B:HIS92
|
3.0
|
15.3
|
1.0
|
C4A
|
B:HEM148
|
3.0
|
21.2
|
1.0
|
C1B
|
B:HEM148
|
3.0
|
19.8
|
1.0
|
C1A
|
B:HEM148
|
3.1
|
23.7
|
1.0
|
C4D
|
B:HEM148
|
3.1
|
20.5
|
1.0
|
C1D
|
B:HEM148
|
3.1
|
23.0
|
1.0
|
C4B
|
B:HEM148
|
3.1
|
21.8
|
1.0
|
C4C
|
B:HEM148
|
3.1
|
14.3
|
1.0
|
C1C
|
B:HEM148
|
3.1
|
16.9
|
1.0
|
CD2
|
B:HIS92
|
3.2
|
8.3
|
1.0
|
CHB
|
B:HEM148
|
3.4
|
21.8
|
1.0
|
CHD
|
B:HEM148
|
3.4
|
18.6
|
1.0
|
CHC
|
B:HEM148
|
3.5
|
22.0
|
1.0
|
CHA
|
B:HEM148
|
3.5
|
20.5
|
1.0
|
CG2
|
B:VAL67
|
4.1
|
27.4
|
1.0
|
NE2
|
B:HIS63
|
4.1
|
23.0
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
15.0
|
1.0
|
C2B
|
B:HEM148
|
4.3
|
20.8
|
1.0
|
C3B
|
B:HEM148
|
4.3
|
21.9
|
1.0
|
C3D
|
B:HEM148
|
4.3
|
23.8
|
1.0
|
C3A
|
B:HEM148
|
4.3
|
21.6
|
1.0
|
C2A
|
B:HEM148
|
4.3
|
27.1
|
1.0
|
C2D
|
B:HEM148
|
4.3
|
22.2
|
1.0
|
CG
|
B:HIS92
|
4.3
|
20.8
|
1.0
|
C3C
|
B:HEM148
|
4.3
|
13.1
|
1.0
|
C2C
|
B:HEM148
|
4.3
|
13.7
|
1.0
|
CE1
|
B:HIS63
|
4.7
|
25.7
|
1.0
|
CD1
|
B:LEU96
|
4.9
|
21.5
|
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 12:43:18 2024
|