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Iron in PDB 4n8t: Human Hemoglobin Nitric Oxide Adduct

Protein crystallography data

The structure of Human Hemoglobin Nitric Oxide Adduct, PDB code: 4n8t was solved by J.Yi, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.48 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.567, 53.567, 192.499, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 25.2

Iron Binding Sites:

The binding sites of Iron atom in the Human Hemoglobin Nitric Oxide Adduct (pdb code 4n8t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Hemoglobin Nitric Oxide Adduct, PDB code: 4n8t:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4n8t

Go back to Iron Binding Sites List in 4n8t
Iron binding site 1 out of 2 in the Human Hemoglobin Nitric Oxide Adduct


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin Nitric Oxide Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:23.1
occ:1.00
FE A:HEM201 0.0 23.1 1.0
N A:NO206 1.8 21.0 1.0
NE2 A:HIS87 2.0 23.8 1.0
ND A:HEM201 2.0 23.9 1.0
NA A:HEM201 2.0 24.8 1.0
NC A:HEM201 2.1 23.3 1.0
NB A:HEM201 2.1 21.9 1.0
O A:NO206 2.8 35.3 1.0
CD2 A:HIS87 2.9 23.2 1.0
C1D A:HEM201 3.0 22.0 1.0
C4D A:HEM201 3.0 23.2 1.0
CE1 A:HIS87 3.0 25.7 1.0
C4B A:HEM201 3.0 22.4 1.0
C4A A:HEM201 3.0 25.0 1.0
C4C A:HEM201 3.0 20.4 1.0
C1A A:HEM201 3.0 24.3 1.0
C1B A:HEM201 3.1 25.6 1.0
C1C A:HEM201 3.1 22.9 1.0
CHB A:HEM201 3.4 26.1 1.0
CHD A:HEM201 3.4 20.8 1.0
CHC A:HEM201 3.4 22.4 1.0
CHA A:HEM201 3.5 25.3 1.0
ND1 A:HIS87 4.1 23.2 1.0
CG A:HIS87 4.1 24.3 1.0
C2C A:HEM201 4.2 21.9 1.0
C3C A:HEM201 4.2 21.9 1.0
C3A A:HEM201 4.2 26.8 1.0
NE2 A:HIS58 4.2 24.8 1.0
C2A A:HEM201 4.2 25.0 1.0
C3D A:HEM201 4.3 24.7 1.0
C2D A:HEM201 4.3 22.8 1.0
C3B A:HEM201 4.3 21.7 1.0
C2B A:HEM201 4.3 22.2 1.0
CE1 A:HIS58 4.6 22.9 1.0

Iron binding site 2 out of 2 in 4n8t

Go back to Iron Binding Sites List in 4n8t
Iron binding site 2 out of 2 in the Human Hemoglobin Nitric Oxide Adduct


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin Nitric Oxide Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:36.7
occ:1.00
FE B:HEM201 0.0 36.7 1.0
ND B:HEM201 1.9 37.3 1.0
NE2 B:HIS92 2.0 30.6 1.0
NA B:HEM201 2.0 32.6 1.0
NC B:HEM201 2.1 40.3 1.0
NB B:HEM201 2.1 36.3 1.0
N B:NO202 2.1 33.0 0.8
CD2 B:HIS92 2.9 33.3 1.0
C1D B:HEM201 3.0 38.3 1.0
C4D B:HEM201 3.0 38.9 1.0
O B:NO202 3.0 39.4 0.8
C1A B:HEM201 3.0 34.1 1.0
CE1 B:HIS92 3.0 35.7 1.0
C4A B:HEM201 3.1 32.5 1.0
C4B B:HEM201 3.1 36.4 1.0
C4C B:HEM201 3.1 38.1 1.0
C1C B:HEM201 3.1 38.0 1.0
C1B B:HEM201 3.1 34.3 1.0
CHA B:HEM201 3.4 34.1 1.0
CHC B:HEM201 3.4 35.0 1.0
CHD B:HEM201 3.5 35.9 1.0
CHB B:HEM201 3.5 33.1 1.0
ND1 B:HIS92 4.1 36.9 1.0
CG B:HIS92 4.1 32.6 1.0
C2D B:HEM201 4.2 37.7 1.0
C2A B:HEM201 4.2 34.7 1.0
C3D B:HEM201 4.2 35.8 1.0
C3A B:HEM201 4.3 30.1 1.0
NE2 B:HIS63 4.3 41.7 1.0
C2C B:HEM201 4.3 38.9 1.0
C3C B:HEM201 4.3 34.3 1.0
C2B B:HEM201 4.3 35.9 1.0
C3B B:HEM201 4.3 36.4 1.0
CG2 B:VAL67 4.6 29.8 1.0
CE1 B:HIS63 4.9 48.2 1.0

Reference:

J.Yi, A.S.Soares, G.B.Richter-Addo. Crystallographic Characterization of the Nitric Oxide Derivative of R-State Human Hemoglobin. Nitric Oxide V. 39 46 2014.
ISSN: ISSN 1089-8603
PubMed: 24769418
DOI: 10.1016/J.NIOX.2014.04.001
Page generated: Sun Dec 13 15:42:27 2020

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