Atomistry » Iron » PDB 6nli-6o5y » 6nq5
Atomistry »
  Iron »
    PDB 6nli-6o5y »
      6nq5 »

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: Sun Dec 13 16:46:32 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy