Iron in PDB 6nq5: Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93
Protein crystallography data
The structure of Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93, PDB code: 6nq5
was solved by
J.Yi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
51.37 /
1.85
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.287,
53.287,
193.464,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.5 /
28.2
|
Iron Binding Sites:
The binding sites of Iron atom in the Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93
(pdb code 6nq5). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the
Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93, PDB code: 6nq5:
Jump to Iron binding site number:
1;
2;
3;
Iron binding site 1 out
of 3 in 6nq5
Go back to
Iron Binding Sites List in 6nq5
Iron binding site 1 out
of 3 in the Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:10.4
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
10.4
|
1.0
|
ND
|
A:HEM201
|
2.0
|
11.4
|
1.0
|
NA
|
A:HEM201
|
2.0
|
11.0
|
1.0
|
NC
|
A:HEM201
|
2.1
|
10.6
|
1.0
|
O
|
A:HOH339
|
2.1
|
8.8
|
1.0
|
NB
|
A:HEM201
|
2.1
|
10.1
|
1.0
|
NE2
|
A:HIS87
|
2.2
|
12.3
|
1.0
|
C1D
|
A:HEM201
|
3.0
|
11.6
|
1.0
|
C4D
|
A:HEM201
|
3.0
|
11.6
|
1.0
|
C4B
|
A:HEM201
|
3.0
|
9.8
|
1.0
|
C1A
|
A:HEM201
|
3.0
|
12.8
|
1.0
|
C1C
|
A:HEM201
|
3.1
|
10.1
|
1.0
|
CD2
|
A:HIS87
|
3.1
|
13.1
|
1.0
|
C4A
|
A:HEM201
|
3.1
|
12.0
|
1.0
|
C4C
|
A:HEM201
|
3.1
|
10.5
|
1.0
|
C1B
|
A:HEM201
|
3.1
|
10.4
|
1.0
|
CE1
|
A:HIS87
|
3.3
|
12.7
|
1.0
|
CHC
|
A:HEM201
|
3.4
|
9.7
|
1.0
|
CHA
|
A:HEM201
|
3.4
|
12.0
|
1.0
|
CHD
|
A:HEM201
|
3.4
|
11.2
|
1.0
|
CHB
|
A:HEM201
|
3.5
|
10.8
|
1.0
|
NE2
|
A:HIS58
|
4.2
|
13.1
|
1.0
|
C3D
|
A:HEM201
|
4.2
|
13.9
|
1.0
|
C2A
|
A:HEM201
|
4.2
|
14.9
|
1.0
|
C2D
|
A:HEM201
|
4.2
|
12.7
|
1.0
|
C2C
|
A:HEM201
|
4.2
|
11.1
|
1.0
|
C3A
|
A:HEM201
|
4.2
|
13.7
|
1.0
|
CG
|
A:HIS87
|
4.3
|
11.7
|
1.0
|
C3C
|
A:HEM201
|
4.3
|
11.3
|
1.0
|
C2B
|
A:HEM201
|
4.3
|
9.8
|
1.0
|
C3B
|
A:HEM201
|
4.3
|
9.3
|
1.0
|
ND1
|
A:HIS87
|
4.3
|
12.1
|
1.0
|
CE1
|
A:HIS58
|
4.8
|
13.5
|
1.0
|
CG2
|
A:VAL62
|
4.9
|
9.3
|
1.0
|
|
Iron binding site 2 out
of 3 in 6nq5
Go back to
Iron Binding Sites List in 6nq5
Iron binding site 2 out
of 3 in the Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:18.6
occ:0.80
|
FE
|
B:HEM201
|
0.0
|
18.6
|
0.8
|
ND
|
B:HEM201
|
1.9
|
18.9
|
0.8
|
NA
|
B:HEM201
|
2.0
|
19.9
|
0.8
|
NC
|
B:HEM201
|
2.1
|
18.4
|
0.8
|
NB
|
B:HEM201
|
2.1
|
18.0
|
0.8
|
NE2
|
B:HIS92
|
2.2
|
28.2
|
1.0
|
NE2
|
B:HIS63
|
2.2
|
26.3
|
1.0
|
C4D
|
B:HEM201
|
2.9
|
20.3
|
0.8
|
C1D
|
B:HEM201
|
3.0
|
20.2
|
0.8
|
C4B
|
B:HEM201
|
3.0
|
17.7
|
0.8
|
C4A
|
B:HEM201
|
3.0
|
19.5
|
0.8
|
C1A
|
B:HEM201
|
3.0
|
19.9
|
0.8
|
CE1
|
B:HIS92
|
3.1
|
27.0
|
1.0
|
C4C
|
B:HEM201
|
3.1
|
18.4
|
0.8
|
C1B
|
B:HEM201
|
3.1
|
17.8
|
0.8
|
C1C
|
B:HEM201
|
3.1
|
17.4
|
0.8
|
CD2
|
B:HIS63
|
3.2
|
25.5
|
1.0
|
CE1
|
B:HIS63
|
3.2
|
27.6
|
1.0
|
CD2
|
B:HIS92
|
3.3
|
25.2
|
1.0
|
CHA
|
B:HEM201
|
3.4
|
20.2
|
0.8
|
CHC
|
B:HEM201
|
3.4
|
19.5
|
0.8
|
CHD
|
B:HEM201
|
3.4
|
18.0
|
0.8
|
CHB
|
B:HEM201
|
3.4
|
19.3
|
0.8
|
C2D
|
B:HEM201
|
4.2
|
20.6
|
0.8
|
C3D
|
B:HEM201
|
4.2
|
22.3
|
0.8
|
C3A
|
B:HEM201
|
4.2
|
20.8
|
0.8
|
ND1
|
B:HIS92
|
4.2
|
25.3
|
1.0
|
C2A
|
B:HEM201
|
4.3
|
21.6
|
0.8
|
C3C
|
B:HEM201
|
4.3
|
18.8
|
0.8
|
C2C
|
B:HEM201
|
4.3
|
18.8
|
0.8
|
C3B
|
B:HEM201
|
4.3
|
18.7
|
0.8
|
C2B
|
B:HEM201
|
4.3
|
18.4
|
0.8
|
CG
|
B:HIS63
|
4.3
|
26.3
|
1.0
|
ND1
|
B:HIS63
|
4.3
|
26.0
|
1.0
|
CG
|
B:HIS92
|
4.4
|
25.5
|
1.0
|
CD
|
B:LYS66
|
4.7
|
27.7
|
1.0
|
|
Iron binding site 3 out
of 3 in 6nq5
Go back to
Iron Binding Sites List in 6nq5
Iron binding site 3 out
of 3 in the Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:7.7
occ:0.20
|
CHC
|
B:HEM201
|
1.8
|
19.5
|
0.8
|
CMC
|
B:HEM201
|
1.9
|
17.4
|
0.8
|
C1C
|
B:HEM201
|
2.3
|
17.4
|
0.8
|
C2C
|
B:HEM201
|
2.4
|
18.8
|
0.8
|
CBB
|
B:HEM201
|
2.8
|
23.4
|
0.8
|
C4B
|
B:HEM201
|
3.0
|
17.7
|
0.8
|
CAB
|
B:HEM201
|
3.5
|
20.0
|
0.8
|
CD2
|
B:LEU96
|
3.5
|
24.2
|
1.0
|
C3B
|
B:HEM201
|
3.6
|
18.7
|
0.8
|
CZ
|
B:PHE42
|
3.7
|
34.0
|
1.0
|
NC
|
B:HEM201
|
3.7
|
18.4
|
0.8
|
C3C
|
B:HEM201
|
3.8
|
18.8
|
0.8
|
CE1
|
B:PHE42
|
4.0
|
33.2
|
1.0
|
NB
|
B:HEM201
|
4.2
|
18.0
|
0.8
|
C4C
|
B:HEM201
|
4.4
|
18.4
|
0.8
|
CE2
|
B:PHE42
|
4.8
|
34.4
|
1.0
|
CAC
|
B:HEM201
|
4.9
|
19.5
|
0.8
|
C2B
|
B:HEM201
|
4.9
|
18.4
|
0.8
|
CG
|
B:LEU96
|
5.0
|
26.1
|
1.0
|
|
Reference:
J.Yi,
J.Yi.
N/A N/A.
Page generated: Wed Aug 7 03:51:58 2024
|