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Iron in PDB 5ixr: Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole

Protein crystallography data

The structure of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole, PDB code: 5ixr was solved by V.Kumar, F.Van Den Akker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.51 / 2.50
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 123.051, 123.051, 123.051, 90.00, 90.00, 90.00
R / Rfree (%) 13.1 / 17.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole (pdb code 5ixr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole, PDB code: 5ixr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5ixr

Go back to Iron Binding Sites List in 5ixr
Iron binding site 1 out of 2 in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:47.6
occ:1.00
FE A:HEM201 0.0 47.6 1.0
ND A:HEM201 1.9 41.5 1.0
NE2 A:HIS105 2.0 44.4 1.0
NA A:HEM201 2.0 43.8 1.0
N3 A:IMD202 2.0 76.4 1.0
NC A:HEM201 2.1 40.2 1.0
NB A:HEM201 2.1 46.9 1.0
CE1 A:HIS105 2.8 43.8 1.0
C1D A:HEM201 2.9 42.5 1.0
C4D A:HEM201 2.9 44.7 1.0
C4 A:IMD202 3.0 80.3 1.0
C4C A:HEM201 3.0 37.7 1.0
C1A A:HEM201 3.0 49.4 1.0
C1B A:HEM201 3.0 45.7 1.0
C4A A:HEM201 3.0 49.4 1.0
C4B A:HEM201 3.0 47.5 1.0
C2 A:IMD202 3.0 81.3 1.0
C1C A:HEM201 3.1 43.9 1.0
CD2 A:HIS105 3.1 47.2 1.0
CHD A:HEM201 3.3 39.1 1.0
CHA A:HEM201 3.4 49.1 1.0
CHB A:HEM201 3.4 44.0 1.0
CHC A:HEM201 3.5 47.9 1.0
ND1 A:HIS105 4.0 39.9 1.0
C2D A:HEM201 4.1 45.0 1.0
CG A:HIS105 4.2 43.6 1.0
C5 A:IMD202 4.2 74.5 1.0
C3D A:HEM201 4.2 49.0 1.0
NE1 A:TRP74 4.2 52.1 1.0
N1 A:IMD202 4.2 71.3 1.0
C3A A:HEM201 4.2 48.6 1.0
C2B A:HEM201 4.2 44.6 1.0
C3C A:HEM201 4.2 38.6 1.0
C2A A:HEM201 4.2 45.7 1.0
C3B A:HEM201 4.2 46.3 1.0
C2C A:HEM201 4.3 40.1 1.0
CE2 A:TRP74 4.8 48.1 1.0
CZ2 A:TRP74 4.8 49.5 1.0

Iron binding site 2 out of 2 in 5ixr

Go back to Iron Binding Sites List in 5ixr
Iron binding site 2 out of 2 in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:48.2
occ:1.00
FE B:HEM501 0.0 48.2 1.0
ND B:HEM501 1.9 42.5 1.0
NA B:HEM501 2.0 46.6 1.0
NE2 B:HIS105 2.0 53.9 1.0
N1 B:IMD502 2.0 98.0 1.0
NB B:HEM501 2.1 45.0 1.0
NC B:HEM501 2.1 41.6 1.0
CE1 B:HIS105 2.7 52.0 1.0
C1D B:HEM501 2.9 39.8 1.0
C4D B:HEM501 2.9 45.9 1.0
C5 B:IMD502 2.9 0.4 1.0
C4B B:HEM501 3.0 46.2 1.0
C4A B:HEM501 3.0 45.9 1.0
C1A B:HEM501 3.0 47.8 1.0
C1B B:HEM501 3.0 49.1 1.0
C2 B:IMD502 3.1 0.1 1.0
C4C B:HEM501 3.1 41.5 1.0
C1C B:HEM501 3.1 39.0 1.0
CD2 B:HIS105 3.2 57.2 1.0
CHD B:HEM501 3.4 43.5 1.0
CHA B:HEM501 3.4 45.0 1.0
CHB B:HEM501 3.4 44.0 1.0
CHC B:HEM501 3.5 38.3 1.0
ND1 B:HIS105 4.0 48.1 1.0
NE1 B:TRP74 4.0 54.1 1.0
C4 B:IMD502 4.1 0.1 1.0
C2D B:HEM501 4.1 38.0 1.0
N3 B:IMD502 4.2 91.6 1.0
C3D B:HEM501 4.2 45.2 1.0
C3A B:HEM501 4.2 43.5 1.0
C2A B:HEM501 4.2 47.1 1.0
CG B:HIS105 4.2 47.8 1.0
C2B B:HEM501 4.2 51.3 1.0
C3B B:HEM501 4.3 48.0 1.0
C2C B:HEM501 4.3 45.6 1.0
C3C B:HEM501 4.3 44.4 1.0
CE2 B:TRP74 4.7 55.2 1.0
CZ2 B:TRP74 4.8 50.1 1.0
CD1 B:TRP74 4.9 55.5 1.0

Reference:

V.Kumar, F.Van Den Akker. Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole To Be Published.
Page generated: Sun Dec 13 16:03:51 2020

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