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Iron in PDB 4n4l: Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine

Enzymatic activity of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine

All present enzymatic activity of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine:
1.7.3.4;

Protein crystallography data

The structure of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine, PDB code: 4n4l was solved by W.J.Maalcke, A.Dietl, S.J.Marritt, J.N.Butt, M.S.M.Jetten, J.T.Keltjens, T.R.M.B.Barends, B.Kartal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.96 / 1.90
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 130.000, 130.000, 130.000, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 16.3

Iron Binding Sites:

The binding sites of Iron atom in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine (pdb code 4n4l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine, PDB code: 4n4l:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 4n4l

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Iron binding site 1 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe613

b:16.2
occ:1.00
FE A:HEM613 0.0 16.2 1.0
NB A:HEM613 2.0 15.4 1.0
NC A:HEM613 2.0 16.4 1.0
NA A:HEM613 2.1 14.4 1.0
ND A:HEM613 2.1 15.6 1.0
NE2 A:HIS120 2.1 15.8 1.0
NE2 A:HIS168 2.1 16.8 1.0
CD2 A:HIS168 3.0 16.9 1.0
C1B A:HEM613 3.0 15.3 1.0
CE1 A:HIS120 3.0 15.1 1.0
C4C A:HEM613 3.0 17.3 1.0
C4B A:HEM613 3.0 15.9 1.0
C1D A:HEM613 3.1 16.0 1.0
C1C A:HEM613 3.1 16.4 1.0
C1A A:HEM613 3.1 15.3 1.0
C4A A:HEM613 3.1 15.1 1.0
C4D A:HEM613 3.1 15.7 1.0
CD2 A:HIS120 3.1 15.8 1.0
CE1 A:HIS168 3.1 17.5 1.0
CHD A:HEM613 3.4 16.2 1.0
CHB A:HEM613 3.4 15.0 1.0
CHA A:HEM613 3.4 14.8 1.0
CHC A:HEM613 3.4 16.2 1.0
ND1 A:HIS120 4.2 14.6 1.0
CG A:HIS168 4.2 17.5 1.0
CG A:HIS120 4.2 16.3 1.0
ND1 A:HIS168 4.2 16.6 1.0
C2B A:HEM613 4.2 15.2 1.0
C3B A:HEM613 4.2 15.8 1.0
C3C A:HEM613 4.3 17.4 1.0
C2C A:HEM613 4.3 17.5 1.0
C2A A:HEM613 4.3 14.8 1.0
C3A A:HEM613 4.3 14.2 1.0
C2D A:HEM613 4.3 15.9 1.0
C3D A:HEM613 4.3 15.4 1.0
CD1 A:LEU171 4.9 16.3 1.0

Iron binding site 2 out of 8 in 4n4l

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Iron binding site 2 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe614

b:14.7
occ:1.00
FE A:HEM614 0.0 14.7 1.0
NB A:HEM614 2.0 13.4 1.0
NA A:HEM614 2.0 14.0 1.0
ND A:HEM614 2.0 13.5 1.0
NC A:HEM614 2.1 13.9 1.0
NE2 A:HIS164 2.1 15.7 1.0
NE2 A:HIS241 2.1 14.0 1.0
C4A A:HEM614 3.0 14.3 1.0
C1B A:HEM614 3.0 13.8 1.0
C1D A:HEM614 3.0 14.1 1.0
CE1 A:HIS164 3.0 15.8 1.0
C4B A:HEM614 3.0 13.9 1.0
C1A A:HEM614 3.1 14.0 1.0
C4D A:HEM614 3.1 14.1 1.0
CD2 A:HIS241 3.1 13.5 1.0
C4C A:HEM614 3.1 14.1 1.0
C1C A:HEM614 3.1 13.4 1.0
CD2 A:HIS164 3.1 16.1 1.0
CE1 A:HIS241 3.1 13.5 1.0
CHB A:HEM614 3.4 13.2 1.0
CHD A:HEM614 3.4 14.4 1.0
CHA A:HEM614 3.4 14.0 1.0
CHC A:HEM614 3.4 13.3 1.0
ND1 A:HIS164 4.2 15.0 1.0
ND1 A:HIS241 4.2 12.9 1.0
CG A:HIS241 4.2 13.0 1.0
CG A:HIS164 4.2 16.4 1.0
C3A A:HEM614 4.3 14.1 1.0
C3B A:HEM614 4.3 13.7 1.0
C2A A:HEM614 4.3 14.6 1.0
C2B A:HEM614 4.3 13.4 1.0
C2D A:HEM614 4.3 13.8 1.0
C3C A:HEM614 4.3 13.9 1.0
C3D A:HEM614 4.3 13.6 1.0
C2C A:HEM614 4.3 14.0 1.0

Iron binding site 3 out of 8 in 4n4l

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Iron binding site 3 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe615

b:15.0
occ:1.00
FE A:HEM615 0.0 15.0 1.0
NB A:HEM615 2.0 14.3 1.0
NA A:HEM615 2.0 13.6 1.0
ND A:HEM615 2.0 14.6 1.0
NC A:HEM615 2.1 13.5 1.0
NE2 A:HIS183 2.1 13.7 1.0
NE2 A:HIS136 2.1 15.8 1.0
C1B A:HEM615 3.0 14.2 1.0
C1D A:HEM615 3.0 14.2 1.0
C4A A:HEM615 3.0 14.1 1.0
CE1 A:HIS183 3.1 13.7 1.0
C4C A:HEM615 3.1 14.0 1.0
CD2 A:HIS136 3.1 16.6 1.0
C4D A:HEM615 3.1 14.4 1.0
C1A A:HEM615 3.1 14.1 1.0
C4B A:HEM615 3.1 14.1 1.0
C1C A:HEM615 3.1 13.7 1.0
CD2 A:HIS183 3.1 13.5 1.0
CE1 A:HIS136 3.1 16.5 1.0
CHD A:HEM615 3.4 14.4 1.0
CHB A:HEM615 3.4 13.7 1.0
CHA A:HEM615 3.4 14.6 1.0
CHC A:HEM615 3.5 14.0 1.0
ND1 A:HIS183 4.2 13.6 1.0
ND1 A:HIS136 4.2 15.9 1.0
CG A:HIS136 4.2 16.7 1.0
CG A:HIS183 4.2 13.8 1.0
C2B A:HEM615 4.3 14.2 1.0
C2D A:HEM615 4.3 14.5 1.0
C3A A:HEM615 4.3 13.6 1.0
C3B A:HEM615 4.3 14.6 1.0
C2A A:HEM615 4.3 14.1 1.0
C3D A:HEM615 4.3 14.4 1.0
C3C A:HEM615 4.3 14.1 1.0
C2C A:HEM615 4.3 14.0 1.0
O A:HOH931 4.9 14.8 1.0

Iron binding site 4 out of 8 in 4n4l

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Iron binding site 4 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe616

b:15.8
occ:1.00
FE A:HEC616 0.0 15.8 1.0
NB A:HEC616 1.9 15.0 1.0
NA A:HEC616 1.9 15.4 1.0
NC A:HEC616 1.9 15.1 1.0
ND A:HEC616 1.9 15.1 1.0
N1 A:HZN612 2.1 19.4 1.0
NE2 A:HIS227 2.1 14.9 1.0
C1B A:HEC616 2.9 16.0 1.0
C4A A:HEC616 2.9 16.5 1.0
C1C A:HEC616 2.9 15.4 1.0
C4C A:HEC616 3.0 14.9 1.0
C4D A:HEC616 3.0 16.0 1.0
C1D A:HEC616 3.0 14.5 1.0
C1A A:HEC616 3.0 16.0 1.0
C4B A:HEC616 3.0 15.8 1.0
CE1 A:HIS227 3.0 15.0 1.0
N2 A:HZN612 3.2 22.9 1.0
CD2 A:HIS227 3.2 14.3 1.0
CHB A:HEC616 3.3 16.5 1.0
CHD A:HEC616 3.3 14.3 1.0
CHA A:HEC616 3.4 16.5 1.0
CHC A:HEC616 3.4 15.8 1.0
C2B A:HEC616 4.1 15.3 1.0
NE2 A:HIS263 4.2 18.4 1.0
C3A A:HEC616 4.2 15.7 1.0
ND1 A:HIS227 4.2 14.8 1.0
C2D A:HEC616 4.2 15.2 1.0
C3D A:HEC616 4.2 15.5 1.0
C2C A:HEC616 4.2 15.2 1.0
C3B A:HEC616 4.2 14.8 1.0
C3C A:HEC616 4.2 14.4 1.0
C2A A:HEC616 4.2 16.2 1.0
CG A:HIS227 4.3 14.1 1.0
CD2 A:HIS263 4.8 18.5 1.0

Iron binding site 5 out of 8 in 4n4l

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Iron binding site 5 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe617

b:12.8
occ:1.00
FE A:HEM617 0.0 12.8 1.0
NA A:HEM617 2.0 12.3 1.0
NB A:HEM617 2.0 12.8 1.0
NC A:HEM617 2.0 12.4 1.0
ND A:HEM617 2.0 11.3 1.0
NE2 A:HIS311 2.1 12.7 1.0
NE2 A:HIS238 2.1 12.2 1.0
CD2 A:HIS311 3.0 11.9 1.0
C1B A:HEM617 3.0 11.7 1.0
C4A A:HEM617 3.0 11.9 1.0
C1D A:HEM617 3.0 12.2 1.0
C4C A:HEM617 3.0 11.7 1.0
CD2 A:HIS238 3.1 12.8 1.0
C1A A:HEM617 3.1 11.5 1.0
C4B A:HEM617 3.1 12.0 1.0
C1C A:HEM617 3.1 12.3 1.0
C4D A:HEM617 3.1 12.2 1.0
CE1 A:HIS238 3.1 13.3 1.0
CE1 A:HIS311 3.1 12.4 1.0
CHB A:HEM617 3.4 11.4 1.0
CHD A:HEM617 3.4 11.6 1.0
CHC A:HEM617 3.5 12.1 1.0
CHA A:HEM617 3.5 11.9 1.0
CG A:HIS311 4.2 12.6 1.0
ND1 A:HIS238 4.2 12.8 1.0
ND1 A:HIS311 4.2 12.5 1.0
CG A:HIS238 4.2 12.3 1.0
C2B A:HEM617 4.2 11.7 1.0
C3A A:HEM617 4.3 11.4 1.0
C3B A:HEM617 4.3 12.4 1.0
C3C A:HEM617 4.3 11.3 1.0
C2A A:HEM617 4.3 11.8 1.0
C2D A:HEM617 4.3 11.8 1.0
C2C A:HEM617 4.3 12.4 1.0
C3D A:HEM617 4.3 12.1 1.0
O A:HOH848 4.7 11.2 1.0
CG A:GLU186 4.9 13.6 1.0
CE A:MET306 5.0 13.3 1.0

Iron binding site 6 out of 8 in 4n4l

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Iron binding site 6 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe618

b:13.1
occ:1.00
FE A:HEM618 0.0 13.1 1.0
NB A:HEM618 2.0 10.8 1.0
NC A:HEM618 2.0 11.3 1.0
ND A:HEM618 2.0 12.7 1.0
NA A:HEM618 2.0 11.9 1.0
NE2 A:HIS258 2.1 12.8 1.0
NE2 A:HIS198 2.1 10.8 1.0
CD2 A:HIS198 3.0 11.8 1.0
C1B A:HEM618 3.0 11.6 1.0
C4B A:HEM618 3.0 11.5 1.0
C1D A:HEM618 3.0 12.7 1.0
C4D A:HEM618 3.0 13.1 1.0
CD2 A:HIS258 3.1 13.0 1.0
C1A A:HEM618 3.1 12.6 1.0
C4A A:HEM618 3.1 11.8 1.0
C4C A:HEM618 3.1 11.7 1.0
C1C A:HEM618 3.1 11.2 1.0
CE1 A:HIS258 3.1 13.1 1.0
CE1 A:HIS198 3.1 12.7 1.0
CHD A:HEM618 3.4 12.2 1.0
CHC A:HEM618 3.4 11.0 1.0
CHA A:HEM618 3.4 12.7 1.0
CHB A:HEM618 3.4 11.1 1.0
ND1 A:HIS258 4.2 11.7 1.0
CG A:HIS198 4.2 11.5 1.0
ND1 A:HIS198 4.2 11.2 1.0
CG A:HIS258 4.2 13.1 1.0
C2B A:HEM618 4.2 11.3 1.0
C3B A:HEM618 4.2 11.6 1.0
C2D A:HEM618 4.3 13.8 1.0
C3D A:HEM618 4.3 14.5 1.0
C3A A:HEM618 4.3 11.7 1.0
C2A A:HEM618 4.3 12.5 1.0
C3C A:HEM618 4.3 12.0 1.0
C2C A:HEM618 4.3 11.0 1.0
O A:HOH845 4.9 13.7 1.0

Iron binding site 7 out of 8 in 4n4l

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Iron binding site 7 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe619

b:12.1
occ:1.00
FE A:HEM619 0.0 12.1 1.0
NB A:HEM619 2.0 11.8 1.0
NA A:HEM619 2.0 12.2 1.0
NC A:HEM619 2.0 10.7 1.0
ND A:HEM619 2.1 11.5 1.0
NE2 A:HIS305 2.1 11.5 1.0
NE2 A:HIS443 2.1 12.8 1.0
CD2 A:HIS443 3.0 12.9 1.0
C4B A:HEM619 3.0 10.8 1.0
C1B A:HEM619 3.0 10.5 1.0
C1A A:HEM619 3.0 12.0 1.0
CE1 A:HIS305 3.0 12.6 1.0
C4A A:HEM619 3.0 11.6 1.0
C1C A:HEM619 3.0 10.7 1.0
C1D A:HEM619 3.0 11.2 1.0
C4D A:HEM619 3.1 12.3 1.0
C4C A:HEM619 3.1 11.5 1.0
CD2 A:HIS305 3.1 12.6 1.0
CE1 A:HIS443 3.2 13.8 1.0
CHC A:HEM619 3.4 10.8 1.0
CHB A:HEM619 3.4 11.4 1.0
CHA A:HEM619 3.4 12.5 1.0
CHD A:HEM619 3.4 10.5 1.0
ND1 A:HIS305 4.1 11.6 1.0
CG A:HIS443 4.1 12.5 1.0
C3B A:HEM619 4.2 10.2 1.0
ND1 A:HIS443 4.2 12.3 1.0
CG A:HIS305 4.2 12.0 1.0
C2A A:HEM619 4.2 12.3 1.0
C2B A:HEM619 4.2 11.0 1.0
C3A A:HEM619 4.2 12.6 1.0
C2C A:HEM619 4.3 10.9 1.0
C3C A:HEM619 4.3 10.6 1.0
C2D A:HEM619 4.3 11.0 1.0
C3D A:HEM619 4.3 11.3 1.0

Iron binding site 8 out of 8 in 4n4l

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Iron binding site 8 out of 8 in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydrazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe620

b:12.4
occ:1.00
FE A:HEM620 0.0 12.4 1.0
NB A:HEM620 2.0 11.8 1.0
NC A:HEM620 2.0 12.1 1.0
ND A:HEM620 2.0 11.3 1.0
NA A:HEM620 2.1 11.8 1.0
NE2 A:HIS350 2.1 13.7 1.0
NE2 A:HIS274 2.1 11.9 1.0
CD2 A:HIS350 3.0 13.5 1.0
CE1 A:HIS274 3.0 12.4 1.0
C4B A:HEM620 3.0 12.4 1.0
C1D A:HEM620 3.0 11.4 1.0
C4C A:HEM620 3.0 12.3 1.0
C1C A:HEM620 3.0 12.9 1.0
C4D A:HEM620 3.1 12.0 1.0
C1A A:HEM620 3.1 11.8 1.0
C1B A:HEM620 3.1 12.7 1.0
C4A A:HEM620 3.1 12.3 1.0
CE1 A:HIS350 3.1 13.8 1.0
CD2 A:HIS274 3.1 11.7 1.0
CHD A:HEM620 3.4 11.8 1.0
CHC A:HEM620 3.4 12.1 1.0
CHA A:HEM620 3.4 11.1 1.0
CHB A:HEM620 3.4 12.4 1.0
ND1 A:HIS274 4.2 12.7 1.0
CG A:HIS350 4.2 14.2 1.0
ND1 A:HIS350 4.2 12.8 1.0
CG A:HIS274 4.2 11.4 1.0
C3B A:HEM620 4.3 12.5 1.0
C2C A:HEM620 4.3 12.2 1.0
C3C A:HEM620 4.3 12.4 1.0
C2B A:HEM620 4.3 13.3 1.0
C2A A:HEM620 4.3 11.8 1.0
C2D A:HEM620 4.3 11.7 1.0
C3D A:HEM620 4.3 11.3 1.0
C3A A:HEM620 4.3 12.1 1.0
O A:HOH1071 4.8 14.4 1.0

Reference:

W.J.Maalcke, A.Dietl, S.J.Marritt, J.N.Butt, M.S.Jetten, J.T.Keltjens, T.R.Barends, B.Kartal. Structural Basis of Biological No Generation By Octaheme Oxidoreductases. J.Biol.Chem. V. 289 1228 2014.
ISSN: ISSN 0021-9258
PubMed: 24302732
DOI: 10.1074/JBC.M113.525147
Page generated: Sun Dec 13 15:42:15 2020

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