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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

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