Iron in PDB 6nq5: Human (Alpha Met/Beta Hemichrome) Hemoglobin with S-Nitrosation at Beta-CYS93

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

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 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 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 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

J.Yi, J.Yi. N/A N/A.