Atomistry » Iron » PDB 6jsu-6kbh » 6kat
Atomistry »
  Iron »
    PDB 6jsu-6kbh »
      6kat »

Iron in PDB 6kat: Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light

Protein crystallography data

The structure of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light, PDB code: 6kat was solved by N.Shibayama, S.Y.Park, M.Ohki, A.Sato-Tomita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.73 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.031, 96.398, 99.997, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.3

Iron Binding Sites:

The binding sites of Iron atom in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light (pdb code 6kat). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light, PDB code: 6kat:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6kat

Go back to Iron Binding Sites List in 6kat
Iron binding site 1 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:16.0
occ:1.00
FE A:HEM201 0.0 16.0 1.0
C A:CMO202 1.8 17.1 1.0
NE2 A:HIS87 2.0 15.4 1.0
NA A:HEM201 2.1 16.3 1.0
NB A:HEM201 2.1 16.0 1.0
ND A:HEM201 2.1 17.0 1.0
NC A:HEM201 2.1 18.0 1.0
O A:CMO202 3.0 18.2 1.0
CE1 A:HIS87 3.0 18.6 1.0
C4D A:HEM201 3.1 18.4 1.0
CD2 A:HIS87 3.1 15.7 1.0
C1A A:HEM201 3.1 17.6 1.0
C1B A:HEM201 3.1 15.9 1.0
C4A A:HEM201 3.1 13.5 1.0
C1C A:HEM201 3.1 18.9 1.0
C4B A:HEM201 3.1 15.4 1.0
C4C A:HEM201 3.1 16.7 1.0
C1D A:HEM201 3.1 14.9 1.0
CHA A:HEM201 3.4 16.2 1.0
CHB A:HEM201 3.5 13.9 1.0
CHC A:HEM201 3.5 13.3 1.0
CHD A:HEM201 3.6 16.8 1.0
ND1 A:HIS87 4.1 16.9 1.0
CG A:HIS87 4.2 15.4 1.0
C3D A:HEM201 4.3 15.2 1.0
C2A A:HEM201 4.3 17.6 1.0
C2B A:HEM201 4.3 18.1 1.0
C3A A:HEM201 4.3 16.9 1.0
C2C A:HEM201 4.3 16.7 1.0
C3C A:HEM201 4.3 13.9 1.0
C2D A:HEM201 4.3 15.9 1.0
C3B A:HEM201 4.3 13.9 1.0
NE2 A:HIS58 4.5 24.1 1.0
CG2 A:VAL62 5.0 32.3 1.0

Iron binding site 2 out of 4 in 6kat

Go back to Iron Binding Sites List in 6kat
Iron binding site 2 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:12.3
occ:1.00
FE B:HEM201 0.0 12.3 1.0
C B:CMO202 1.8 11.8 1.0
NA B:HEM201 2.0 11.8 1.0
NE2 B:HIS92 2.0 13.2 1.0
ND B:HEM201 2.1 13.9 1.0
NC B:HEM201 2.1 11.4 1.0
NB B:HEM201 2.1 13.4 1.0
O B:CMO202 3.0 15.7 1.0
CE1 B:HIS92 3.0 15.7 1.0
CD2 B:HIS92 3.1 16.7 1.0
C1A B:HEM201 3.1 15.6 1.0
C4D B:HEM201 3.1 13.0 1.0
C4A B:HEM201 3.1 11.9 1.0
C1C B:HEM201 3.1 11.8 1.0
C1D B:HEM201 3.1 11.8 1.0
C1B B:HEM201 3.1 11.1 1.0
C4C B:HEM201 3.1 10.9 1.0
C4B B:HEM201 3.1 12.2 1.0
CHA B:HEM201 3.5 16.6 1.0
CHB B:HEM201 3.5 11.5 1.0
CHC B:HEM201 3.5 10.7 1.0
CHD B:HEM201 3.5 11.0 1.0
ND1 B:HIS92 4.1 12.1 1.0
CG B:HIS92 4.2 13.6 1.0
C2A B:HEM201 4.3 11.8 1.0
C3D B:HEM201 4.3 12.3 1.0
C2D B:HEM201 4.3 14.3 1.0
C3A B:HEM201 4.3 12.3 1.0
C2C B:HEM201 4.3 12.4 1.0
C3C B:HEM201 4.3 12.1 1.0
C2B B:HEM201 4.3 12.2 1.0
C3B B:HEM201 4.3 16.8 1.0
CE1 B:HIS63 4.5 45.2 1.0
CG2 B:VAL67 4.8 33.1 1.0

Iron binding site 3 out of 4 in 6kat

Go back to Iron Binding Sites List in 6kat
Iron binding site 3 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:13.8
occ:1.00
FE C:HEM201 0.0 13.8 1.0
C C:CMO202 1.7 13.5 1.0
NE2 C:HIS87 2.0 15.5 1.0
ND C:HEM201 2.0 15.2 1.0
NA C:HEM201 2.0 11.1 1.0
NB C:HEM201 2.1 14.0 1.0
NC C:HEM201 2.1 9.2 1.0
O C:CMO202 3.0 18.9 1.0
CE1 C:HIS87 3.0 19.1 1.0
C1A C:HEM201 3.1 14.4 1.0
C4D C:HEM201 3.1 14.6 1.0
C4A C:HEM201 3.1 13.2 1.0
CD2 C:HIS87 3.1 16.5 1.0
C1D C:HEM201 3.1 13.2 1.0
C1B C:HEM201 3.1 11.0 1.0
C1C C:HEM201 3.1 11.8 1.0
C4C C:HEM201 3.1 13.5 1.0
C4B C:HEM201 3.1 14.0 1.0
CHA C:HEM201 3.5 16.4 1.0
CHB C:HEM201 3.5 13.8 1.0
CHD C:HEM201 3.5 12.3 1.0
CHC C:HEM201 3.6 14.5 1.0
ND1 C:HIS87 4.1 14.4 1.0
CG C:HIS87 4.2 15.5 1.0
C2A C:HEM201 4.3 12.3 1.0
C3A C:HEM201 4.3 15.1 1.0
C3D C:HEM201 4.3 18.8 1.0
C3C C:HEM201 4.3 12.7 1.0
C2D C:HEM201 4.3 15.6 1.0
C2C C:HEM201 4.3 11.5 1.0
C2B C:HEM201 4.3 13.7 1.0
C3B C:HEM201 4.3 10.8 1.0
NE2 C:HIS58 4.6 24.0 1.0
CG2 C:VAL62 5.0 26.0 1.0

Iron binding site 4 out of 4 in 6kat

Go back to Iron Binding Sites List in 6kat
Iron binding site 4 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 95 K: Light within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:16.3
occ:1.00
FE D:HEM201 0.0 16.3 1.0
C D:CMO202 1.8 15.3 1.0
NE2 D:HIS92 2.0 14.2 1.0
ND D:HEM201 2.1 17.5 1.0
NC D:HEM201 2.1 14.5 1.0
NA D:HEM201 2.1 13.9 1.0
NB D:HEM201 2.1 15.9 1.0
O D:CMO202 3.0 19.9 1.0
CE1 D:HIS92 3.0 18.5 1.0
C4D D:HEM201 3.1 20.2 1.0
C1A D:HEM201 3.1 18.2 1.0
C4C D:HEM201 3.1 16.4 1.0
CD2 D:HIS92 3.1 17.0 1.0
C1C D:HEM201 3.1 15.6 1.0
C1D D:HEM201 3.1 17.0 1.0
C4A D:HEM201 3.1 13.3 1.0
C1B D:HEM201 3.1 13.6 1.0
C4B D:HEM201 3.1 15.1 1.0
CHA D:HEM201 3.4 15.7 1.0
CHD D:HEM201 3.5 20.2 1.0
CHC D:HEM201 3.5 16.5 1.0
CHB D:HEM201 3.5 17.7 1.0
ND1 D:HIS92 4.1 16.4 1.0
CG D:HIS92 4.2 14.1 1.0
C3D D:HEM201 4.3 21.2 1.0
C3C D:HEM201 4.3 15.8 1.0
C2A D:HEM201 4.3 15.4 1.0
C2C D:HEM201 4.3 17.8 1.0
C2D D:HEM201 4.3 21.1 1.0
C3A D:HEM201 4.3 13.1 1.0
C2B D:HEM201 4.3 16.1 1.0
C3B D:HEM201 4.4 15.5 1.0
NE2 D:HIS63 4.5 24.8 1.0
CG2 D:VAL67 4.8 36.5 1.0

Reference:

N.Shibayama, A.Sato-Tomita, M.Ohki, K.Ichiyanagi, S.Y.Park. Direct Observation of Ligand Migration Within Human Hemoglobin at Work Proc.Natl.Acad.Sci.Usa 2020.
ISSN: ESSN 1091-6490
Page generated: Tue Aug 6 23:55:41 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy