Iron in PDB 1y8k: Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
Protein crystallography data
The structure of Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity), PDB code: 1y8k
was solved by
R.Sankaranarayanan,
B.K.Biswal,
M.Vijayan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.519,
80.140,
111.315,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.3 /
22.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
(pdb code 1y8k). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity), PDB code: 1y8k:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1y8k
Go back to
Iron Binding Sites List in 1y8k
Iron binding site 1 out
of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe142
b:23.6
occ:1.00
|
FE
|
A:HEM142
|
0.0
|
23.6
|
1.0
|
NB
|
A:HEM142
|
2.0
|
22.6
|
1.0
|
ND
|
A:HEM142
|
2.0
|
23.9
|
1.0
|
NA
|
A:HEM142
|
2.0
|
24.1
|
1.0
|
NC
|
A:HEM142
|
2.0
|
23.0
|
1.0
|
O
|
A:HOH900
|
2.1
|
24.5
|
1.0
|
NE2
|
A:HIS87
|
2.2
|
22.5
|
1.0
|
C1B
|
A:HEM142
|
3.0
|
22.2
|
1.0
|
C1A
|
A:HEM142
|
3.0
|
24.4
|
1.0
|
C4B
|
A:HEM142
|
3.0
|
22.8
|
1.0
|
C4A
|
A:HEM142
|
3.0
|
23.4
|
1.0
|
C4D
|
A:HEM142
|
3.1
|
24.7
|
1.0
|
C1D
|
A:HEM142
|
3.1
|
24.3
|
1.0
|
C1C
|
A:HEM142
|
3.1
|
22.1
|
1.0
|
C4C
|
A:HEM142
|
3.1
|
22.9
|
1.0
|
CD2
|
A:HIS87
|
3.1
|
22.1
|
1.0
|
CE1
|
A:HIS87
|
3.2
|
22.1
|
1.0
|
CHB
|
A:HEM142
|
3.4
|
22.2
|
1.0
|
CHC
|
A:HEM142
|
3.4
|
22.3
|
1.0
|
CHA
|
A:HEM142
|
3.4
|
24.8
|
1.0
|
CHD
|
A:HEM142
|
3.5
|
23.5
|
1.0
|
NE2
|
A:HIS58
|
4.1
|
25.4
|
1.0
|
C2A
|
A:HEM142
|
4.2
|
25.5
|
1.0
|
CG
|
A:HIS87
|
4.3
|
23.3
|
1.0
|
C2B
|
A:HEM142
|
4.3
|
22.4
|
1.0
|
ND1
|
A:HIS87
|
4.3
|
22.4
|
1.0
|
C3B
|
A:HEM142
|
4.3
|
22.4
|
1.0
|
C3A
|
A:HEM142
|
4.3
|
24.2
|
1.0
|
C3D
|
A:HEM142
|
4.3
|
25.6
|
1.0
|
C2C
|
A:HEM142
|
4.3
|
23.4
|
1.0
|
C3C
|
A:HEM142
|
4.3
|
23.4
|
1.0
|
C2D
|
A:HEM142
|
4.3
|
25.0
|
1.0
|
CE1
|
A:HIS58
|
4.5
|
24.8
|
1.0
|
CG2
|
A:VAL62
|
4.9
|
23.6
|
1.0
|
|
Iron binding site 2 out
of 4 in 1y8k
Go back to
Iron Binding Sites List in 1y8k
Iron binding site 2 out
of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe147
b:36.1
occ:1.00
|
FE
|
B:HEM147
|
0.0
|
36.1
|
1.0
|
ND
|
B:HEM147
|
2.0
|
37.8
|
1.0
|
NA
|
B:HEM147
|
2.0
|
38.4
|
1.0
|
NB
|
B:HEM147
|
2.0
|
36.8
|
1.0
|
NC
|
B:HEM147
|
2.0
|
37.2
|
1.0
|
NE2
|
B:HIS92
|
2.1
|
39.6
|
1.0
|
O
|
B:HOH901
|
2.1
|
33.8
|
1.0
|
CD2
|
B:HIS92
|
3.0
|
40.4
|
1.0
|
C1D
|
B:HEM147
|
3.0
|
37.8
|
1.0
|
C4D
|
B:HEM147
|
3.0
|
38.6
|
1.0
|
C1A
|
B:HEM147
|
3.0
|
38.6
|
1.0
|
C4A
|
B:HEM147
|
3.1
|
38.6
|
1.0
|
C4B
|
B:HEM147
|
3.1
|
36.5
|
1.0
|
C1C
|
B:HEM147
|
3.1
|
35.8
|
1.0
|
C4C
|
B:HEM147
|
3.1
|
36.4
|
1.0
|
C1B
|
B:HEM147
|
3.1
|
37.4
|
1.0
|
CE1
|
B:HIS92
|
3.2
|
40.3
|
1.0
|
CHA
|
B:HEM147
|
3.4
|
38.4
|
1.0
|
CHC
|
B:HEM147
|
3.4
|
35.7
|
1.0
|
CHD
|
B:HEM147
|
3.4
|
36.6
|
1.0
|
CHB
|
B:HEM147
|
3.5
|
38.0
|
1.0
|
CG
|
B:HIS92
|
4.2
|
41.2
|
1.0
|
ND1
|
B:HIS92
|
4.2
|
40.4
|
1.0
|
C2A
|
B:HEM147
|
4.3
|
39.6
|
1.0
|
C2D
|
B:HEM147
|
4.3
|
38.4
|
1.0
|
C3A
|
B:HEM147
|
4.3
|
39.1
|
1.0
|
C3D
|
B:HEM147
|
4.3
|
39.4
|
1.0
|
NE2
|
B:HIS63
|
4.3
|
37.4
|
1.0
|
C2C
|
B:HEM147
|
4.3
|
36.2
|
1.0
|
C3C
|
B:HEM147
|
4.3
|
36.3
|
1.0
|
C3B
|
B:HEM147
|
4.3
|
36.9
|
1.0
|
C2B
|
B:HEM147
|
4.3
|
37.3
|
1.0
|
CE1
|
B:HIS63
|
4.7
|
38.0
|
1.0
|
CG2
|
B:VAL67
|
4.9
|
39.4
|
1.0
|
|
Iron binding site 3 out
of 4 in 1y8k
Go back to
Iron Binding Sites List in 1y8k
Iron binding site 3 out
of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe142
b:23.5
occ:1.00
|
FE
|
C:HEM142
|
0.0
|
23.5
|
1.0
|
NA
|
C:HEM142
|
2.0
|
25.4
|
1.0
|
NB
|
C:HEM142
|
2.0
|
24.3
|
1.0
|
ND
|
C:HEM142
|
2.0
|
24.7
|
1.0
|
NC
|
C:HEM142
|
2.0
|
24.0
|
1.0
|
NE2
|
C:HIS87
|
2.1
|
23.2
|
1.0
|
O
|
C:HOH902
|
2.1
|
23.6
|
1.0
|
CE1
|
C:HIS87
|
3.0
|
23.5
|
1.0
|
C1A
|
C:HEM142
|
3.0
|
25.4
|
1.0
|
C4D
|
C:HEM142
|
3.0
|
25.1
|
1.0
|
C4A
|
C:HEM142
|
3.0
|
24.0
|
1.0
|
C1B
|
C:HEM142
|
3.0
|
24.1
|
1.0
|
C4B
|
C:HEM142
|
3.0
|
23.6
|
1.0
|
C1D
|
C:HEM142
|
3.1
|
24.4
|
1.0
|
C1C
|
C:HEM142
|
3.1
|
23.0
|
1.0
|
C4C
|
C:HEM142
|
3.1
|
23.2
|
1.0
|
CD2
|
C:HIS87
|
3.1
|
24.0
|
1.0
|
CHA
|
C:HEM142
|
3.4
|
25.1
|
1.0
|
CHB
|
C:HEM142
|
3.4
|
24.1
|
1.0
|
CHC
|
C:HEM142
|
3.4
|
22.8
|
1.0
|
CHD
|
C:HEM142
|
3.5
|
23.7
|
1.0
|
ND1
|
C:HIS87
|
4.1
|
23.9
|
1.0
|
CG
|
C:HIS87
|
4.2
|
24.1
|
1.0
|
C2A
|
C:HEM142
|
4.2
|
26.6
|
1.0
|
C3A
|
C:HEM142
|
4.3
|
25.5
|
1.0
|
C2B
|
C:HEM142
|
4.3
|
24.0
|
1.0
|
C3B
|
C:HEM142
|
4.3
|
24.4
|
1.0
|
C3D
|
C:HEM142
|
4.3
|
26.1
|
1.0
|
C2D
|
C:HEM142
|
4.3
|
25.2
|
1.0
|
NE2
|
C:HIS58
|
4.3
|
21.7
|
1.0
|
C2C
|
C:HEM142
|
4.3
|
22.9
|
1.0
|
C3C
|
C:HEM142
|
4.3
|
22.5
|
1.0
|
CE1
|
C:HIS58
|
4.7
|
22.7
|
1.0
|
|
Iron binding site 4 out
of 4 in 1y8k
Go back to
Iron Binding Sites List in 1y8k
Iron binding site 4 out
of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity)
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Horse Methemoglobin Low Salt, pH 7.0 (88% Relative Humidity) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe147
b:20.1
occ:1.00
|
FE
|
D:HEM147
|
0.0
|
20.1
|
1.0
|
NA
|
D:HEM147
|
2.0
|
21.6
|
1.0
|
ND
|
D:HEM147
|
2.0
|
20.5
|
1.0
|
NC
|
D:HEM147
|
2.0
|
18.9
|
1.0
|
NB
|
D:HEM147
|
2.0
|
19.9
|
1.0
|
NE2
|
D:HIS92
|
2.1
|
20.6
|
1.0
|
O
|
D:HOH903
|
2.1
|
25.5
|
1.0
|
C1A
|
D:HEM147
|
3.0
|
21.4
|
1.0
|
C4D
|
D:HEM147
|
3.0
|
21.0
|
1.0
|
CE1
|
D:HIS92
|
3.0
|
20.5
|
1.0
|
C4A
|
D:HEM147
|
3.0
|
21.5
|
1.0
|
C1C
|
D:HEM147
|
3.0
|
18.9
|
1.0
|
C1D
|
D:HEM147
|
3.1
|
20.2
|
1.0
|
C4B
|
D:HEM147
|
3.1
|
19.3
|
1.0
|
C4C
|
D:HEM147
|
3.1
|
18.6
|
1.0
|
C1B
|
D:HEM147
|
3.1
|
20.1
|
1.0
|
CD2
|
D:HIS92
|
3.1
|
20.3
|
1.0
|
CHA
|
D:HEM147
|
3.4
|
20.4
|
1.0
|
CHC
|
D:HEM147
|
3.4
|
18.6
|
1.0
|
CHB
|
D:HEM147
|
3.5
|
20.2
|
1.0
|
CHD
|
D:HEM147
|
3.5
|
19.1
|
1.0
|
ND1
|
D:HIS92
|
4.2
|
20.7
|
1.0
|
CG
|
D:HIS92
|
4.2
|
21.2
|
1.0
|
C2A
|
D:HEM147
|
4.2
|
22.8
|
1.0
|
C3A
|
D:HEM147
|
4.3
|
21.9
|
1.0
|
C3D
|
D:HEM147
|
4.3
|
22.0
|
1.0
|
C2D
|
D:HEM147
|
4.3
|
21.3
|
1.0
|
NE2
|
D:HIS63
|
4.3
|
20.2
|
1.0
|
C2C
|
D:HEM147
|
4.3
|
18.5
|
1.0
|
C3C
|
D:HEM147
|
4.3
|
18.7
|
1.0
|
C3B
|
D:HEM147
|
4.3
|
19.8
|
1.0
|
C2B
|
D:HEM147
|
4.3
|
19.9
|
1.0
|
CE1
|
D:HIS63
|
4.8
|
19.9
|
1.0
|
CG2
|
D:VAL67
|
4.9
|
19.2
|
1.0
|
|
Reference:
R.Sankaranarayanan,
B.K.Biswal,
M.Vijayan.
A New Relaxed State in Horse Methemoglobin Characterized By Crystallographic Studies. Proteins V. 60 547 2005.
ISSN: ISSN 0887-3585
PubMed: 15887226
DOI: 10.1002/PROT.20510
Page generated: Sat Aug 3 17:27:18 2024
|