Iron in PDB 6kau: Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark

Protein crystallography data

The structure of Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark, PDB code: 6kau 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) 19.77 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.124, 96.436, 100.263, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 21.3

Iron Binding Sites:

The binding sites of Iron atom in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark (pdb code 6kau). 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 140 K: Dark, PDB code: 6kau:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6kau

Go back to Iron Binding Sites List in 6kau
Iron binding site 1 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark


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 140 K: Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:16.6
occ:1.00
FE A:HEM201 0.0 16.6 1.0
C A:CMO202 1.7 14.2 1.0
NE2 A:HIS87 2.0 14.6 1.0
NA A:HEM201 2.0 15.5 1.0
ND A:HEM201 2.1 17.0 1.0
NB A:HEM201 2.1 15.2 1.0
NC A:HEM201 2.1 17.6 1.0
O A:CMO202 3.0 17.9 1.0
CE1 A:HIS87 3.0 18.4 1.0
C4D A:HEM201 3.0 18.1 1.0
C1A A:HEM201 3.0 18.9 1.0
CD2 A:HIS87 3.1 15.1 1.0
C4A A:HEM201 3.1 16.5 1.0
C4B A:HEM201 3.1 15.7 1.0
C1B A:HEM201 3.1 16.5 1.0
C1C A:HEM201 3.1 18.3 1.0
C1D A:HEM201 3.1 15.5 1.0
C4C A:HEM201 3.1 17.3 1.0
CHA A:HEM201 3.4 19.6 1.0
CHB A:HEM201 3.5 15.1 1.0
CHC A:HEM201 3.5 14.5 1.0
CHD A:HEM201 3.6 16.6 1.0
ND1 A:HIS87 4.1 16.8 1.0
CG A:HIS87 4.2 13.6 1.0
C2A A:HEM201 4.3 19.0 1.0
C3D A:HEM201 4.3 15.4 1.0
C3A A:HEM201 4.3 18.3 1.0
C2B A:HEM201 4.3 18.2 1.0
C3B A:HEM201 4.3 13.8 1.0
C2D A:HEM201 4.3 17.4 1.0
C2C A:HEM201 4.3 17.8 1.0
C3C A:HEM201 4.3 15.7 1.0
NE2 A:HIS58 4.5 23.2 1.0
CG2 A:VAL62 4.9 34.4 1.0

Iron binding site 2 out of 4 in 6kau

Go back to Iron Binding Sites List in 6kau
Iron binding site 2 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark


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 140 K: Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:13.9
occ:1.00
FE B:HEM201 0.0 13.9 1.0
C B:CMO202 1.8 14.8 1.0
NA B:HEM201 2.0 13.1 1.0
NE2 B:HIS92 2.0 12.8 1.0
ND B:HEM201 2.1 14.4 1.0
NB B:HEM201 2.1 13.7 1.0
NC B:HEM201 2.1 13.2 1.0
O B:CMO202 2.9 16.3 1.0
CE1 B:HIS92 3.0 16.5 1.0
CD2 B:HIS92 3.1 13.5 1.0
C1A B:HEM201 3.1 17.6 1.0
C4D B:HEM201 3.1 13.2 1.0
C4A B:HEM201 3.1 13.5 1.0
C1B B:HEM201 3.1 11.1 1.0
C1C B:HEM201 3.1 13.4 1.0
C1D B:HEM201 3.1 14.1 1.0
C4C B:HEM201 3.1 14.1 1.0
C4B B:HEM201 3.1 12.1 1.0
CHA B:HEM201 3.5 17.6 1.0
CHB B:HEM201 3.5 11.9 1.0
CHC B:HEM201 3.5 13.9 1.0
CHD B:HEM201 3.5 13.5 1.0
ND1 B:HIS92 4.1 13.4 1.0
CG B:HIS92 4.2 11.2 1.0
C2A B:HEM201 4.3 16.1 1.0
C3A B:HEM201 4.3 17.6 1.0
C2C B:HEM201 4.3 16.6 1.0
C3C B:HEM201 4.3 14.1 1.0
C3D B:HEM201 4.3 15.6 1.0
C2D B:HEM201 4.3 16.1 1.0
C2B B:HEM201 4.3 16.2 1.0
C3B B:HEM201 4.3 16.7 1.0
NE2 B:HIS63 4.4 31.6 1.0
CG2 B:VAL67 4.7 35.5 1.0

Iron binding site 3 out of 4 in 6kau

Go back to Iron Binding Sites List in 6kau
Iron binding site 3 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark


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 140 K: Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:14.2
occ:1.00
FE C:HEM201 0.0 14.2 1.0
C C:CMO202 1.7 12.9 1.0
NA C:HEM201 2.0 10.0 1.0
ND C:HEM201 2.0 15.9 1.0
NE2 C:HIS87 2.0 17.1 1.0
NB C:HEM201 2.1 15.2 1.0
NC C:HEM201 2.1 11.3 1.0
O C:CMO202 2.9 17.1 1.0
CE1 C:HIS87 3.0 16.2 1.0
C1A C:HEM201 3.0 15.1 1.0
C4D C:HEM201 3.1 16.8 1.0
C4A C:HEM201 3.1 14.9 1.0
C4C C:HEM201 3.1 13.9 1.0
C1C C:HEM201 3.1 16.2 1.0
C1B C:HEM201 3.1 12.0 1.0
C1D C:HEM201 3.1 13.4 1.0
CD2 C:HIS87 3.1 17.5 1.0
C4B C:HEM201 3.1 15.4 1.0
CHA C:HEM201 3.4 19.5 1.0
CHB C:HEM201 3.5 15.2 1.0
CHD C:HEM201 3.5 13.3 1.0
CHC C:HEM201 3.5 16.2 1.0
ND1 C:HIS87 4.1 14.6 1.0
CG C:HIS87 4.2 16.6 1.0
C2A C:HEM201 4.2 15.5 1.0
C3A C:HEM201 4.3 13.6 1.0
C3D C:HEM201 4.3 17.5 1.0
C3C C:HEM201 4.3 14.3 1.0
C2C C:HEM201 4.3 12.7 1.0
C2D C:HEM201 4.3 13.8 1.0
C2B C:HEM201 4.3 12.0 1.0
C3B C:HEM201 4.3 11.6 1.0
NE2 C:HIS58 4.6 22.0 1.0
CG2 C:VAL62 4.9 32.1 1.0

Iron binding site 4 out of 4 in 6kau

Go back to Iron Binding Sites List in 6kau
Iron binding site 4 out of 4 in the Carbonmonoxy Human Hemoglobin A in the R2 Quaternary Structure at 140 K: Dark


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 140 K: Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:16.4
occ:1.00
FE D:HEM201 0.0 16.4 1.0
C D:CMO202 1.8 15.7 1.0
NE2 D:HIS92 2.0 15.5 1.0
NA D:HEM201 2.1 15.6 1.0
ND D:HEM201 2.1 17.2 1.0
NC D:HEM201 2.1 15.6 1.0
NB D:HEM201 2.1 16.0 1.0
CE1 D:HIS92 3.0 20.2 1.0
O D:CMO202 3.0 20.2 1.0
C1A D:HEM201 3.0 16.7 1.0
C4D D:HEM201 3.0 18.5 1.0
CD2 D:HIS92 3.1 15.2 1.0
C1C D:HEM201 3.1 16.6 1.0
C4A D:HEM201 3.1 16.0 1.0
C4C D:HEM201 3.1 18.3 1.0
C1D D:HEM201 3.1 18.2 1.0
C1B D:HEM201 3.1 13.8 1.0
C4B D:HEM201 3.1 13.8 1.0
CHA D:HEM201 3.4 18.2 1.0
CHC D:HEM201 3.5 16.3 1.0
CHB D:HEM201 3.5 17.4 1.0
CHD D:HEM201 3.5 23.1 1.0
ND1 D:HIS92 4.1 18.9 1.0
CG D:HIS92 4.2 14.8 1.0
C2A D:HEM201 4.3 15.7 1.0
C3D D:HEM201 4.3 23.2 1.0
C3A D:HEM201 4.3 16.8 1.0
C2C D:HEM201 4.3 15.8 1.0
C2D D:HEM201 4.3 23.4 1.0
C3C D:HEM201 4.3 16.3 1.0
C2B D:HEM201 4.3 15.1 1.0
C3B D:HEM201 4.4 17.7 1.0
NE2 D:HIS63 4.5 26.4 1.0
CG2 D:VAL67 4.8 36.9 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: Sun Dec 13 16:36:40 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