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Iron in PDB 4n4k: Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydroxylamine

Enzymatic activity of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydroxylamine

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

Protein crystallography data

The structure of Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydroxylamine, PDB code: 4n4k 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) 45.99 / 2.20
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 130.070, 130.070, 130.070, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.7

Iron Binding Sites:

The binding sites of Iron atom in the Kuenenia Stuttgartiensis Hydroxylamine Oxidoreductase Soaked in Hydroxylamine (pdb code 4n4k). 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 Hydroxylamine, PDB code: 4n4k:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe607

b:25.3
occ:1.00
FE A:HEM607 0.0 25.3 1.0
NB A:HEM607 2.0 25.4 1.0
NA A:HEM607 2.0 24.2 1.0
NC A:HEM607 2.1 25.6 1.0
ND A:HEM607 2.1 24.4 1.0
NE2 A:HIS120 2.1 25.3 1.0
NE2 A:HIS168 2.1 26.2 1.0
CE1 A:HIS120 2.9 25.4 1.0
C1A A:HEM607 3.0 24.0 1.0
C4B A:HEM607 3.1 26.6 1.0
CD2 A:HIS168 3.1 26.8 1.0
C1B A:HEM607 3.1 25.4 1.0
C1C A:HEM607 3.1 26.3 1.0
C4D A:HEM607 3.1 24.8 1.0
C4C A:HEM607 3.1 25.5 1.0
C4A A:HEM607 3.1 24.1 1.0
C1D A:HEM607 3.1 24.9 1.0
CE1 A:HIS168 3.1 26.3 1.0
CD2 A:HIS120 3.2 25.7 1.0
CHA A:HEM607 3.4 23.9 1.0
CHC A:HEM607 3.4 26.3 1.0
CHD A:HEM607 3.4 24.9 1.0
CHB A:HEM607 3.4 25.1 1.0
ND1 A:HIS120 4.1 25.8 1.0
ND1 A:HIS168 4.2 26.2 1.0
CG A:HIS168 4.2 27.5 1.0
CG A:HIS120 4.3 26.3 1.0
C2A A:HEM607 4.3 23.0 1.0
C3B A:HEM607 4.3 25.9 1.0
C2B A:HEM607 4.3 26.4 1.0
C3A A:HEM607 4.3 23.7 1.0
C2C A:HEM607 4.3 26.5 1.0
C3C A:HEM607 4.3 26.4 1.0
C3D A:HEM607 4.3 25.0 1.0
C2D A:HEM607 4.3 24.9 1.0
CD1 A:LEU171 4.8 27.5 1.0

Iron binding site 2 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe608

b:20.7
occ:1.00
FE A:HEM608 0.0 20.7 1.0
NA A:HEM608 2.0 20.5 1.0
NC A:HEM608 2.1 20.2 1.0
NB A:HEM608 2.1 20.2 1.0
NE2 A:HIS164 2.1 24.4 1.0
ND A:HEM608 2.1 20.2 1.0
NE2 A:HIS241 2.1 19.5 1.0
C4A A:HEM608 3.0 20.2 1.0
C1A A:HEM608 3.0 20.8 1.0
CE1 A:HIS164 3.0 24.5 1.0
C1C A:HEM608 3.1 20.2 1.0
C1B A:HEM608 3.1 20.0 1.0
C4B A:HEM608 3.1 20.2 1.0
C4C A:HEM608 3.1 20.9 1.0
CE1 A:HIS241 3.1 19.4 1.0
C1D A:HEM608 3.1 20.0 1.0
CD2 A:HIS241 3.1 19.5 1.0
C4D A:HEM608 3.1 20.4 1.0
CD2 A:HIS164 3.1 24.9 1.0
CHB A:HEM608 3.4 20.1 1.0
CHC A:HEM608 3.4 19.9 1.0
CHA A:HEM608 3.4 20.7 1.0
CHD A:HEM608 3.4 20.7 1.0
ND1 A:HIS164 4.2 24.1 1.0
ND1 A:HIS241 4.2 19.0 1.0
C3A A:HEM608 4.2 20.3 1.0
CG A:HIS241 4.2 19.8 1.0
CG A:HIS164 4.2 26.0 1.0
C2A A:HEM608 4.2 20.4 1.0
C3B A:HEM608 4.3 20.2 1.0
C2C A:HEM608 4.3 20.3 1.0
C2B A:HEM608 4.3 20.2 1.0
C3C A:HEM608 4.3 20.8 1.0
C2D A:HEM608 4.3 20.0 1.0
C3D A:HEM608 4.3 19.6 1.0

Iron binding site 3 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe609

b:21.5
occ:1.00
FE A:HEM609 0.0 21.5 1.0
NB A:HEM609 2.0 20.8 1.0
NA A:HEM609 2.0 20.4 1.0
NC A:HEM609 2.0 21.4 1.0
ND A:HEM609 2.1 21.1 1.0
NE2 A:HIS136 2.1 25.2 1.0
NE2 A:HIS183 2.1 20.5 1.0
C1B A:HEM609 3.0 19.6 1.0
C4A A:HEM609 3.0 20.2 1.0
CD2 A:HIS183 3.0 20.7 1.0
C4C A:HEM609 3.1 21.3 1.0
C1D A:HEM609 3.1 21.3 1.0
C4B A:HEM609 3.1 21.0 1.0
CE1 A:HIS136 3.1 25.7 1.0
C1C A:HEM609 3.1 21.1 1.0
C4D A:HEM609 3.1 22.1 1.0
C1A A:HEM609 3.1 20.6 1.0
CD2 A:HIS136 3.1 25.7 1.0
CE1 A:HIS183 3.1 20.8 1.0
CHB A:HEM609 3.4 20.3 1.0
CHD A:HEM609 3.4 21.5 1.0
CHC A:HEM609 3.4 21.4 1.0
CHA A:HEM609 3.5 20.7 1.0
ND1 A:HIS136 4.2 25.5 1.0
ND1 A:HIS183 4.2 20.6 1.0
CG A:HIS183 4.2 21.1 1.0
CG A:HIS136 4.2 26.6 1.0
C2B A:HEM609 4.3 20.2 1.0
C3B A:HEM609 4.3 20.0 1.0
C3A A:HEM609 4.3 20.6 1.0
C3C A:HEM609 4.3 21.7 1.0
C2C A:HEM609 4.3 21.2 1.0
C2A A:HEM609 4.3 20.3 1.0
C2D A:HEM609 4.3 22.1 1.0
C3D A:HEM609 4.3 22.8 1.0
O A:HOH844 4.8 22.5 1.0

Iron binding site 4 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe610

b:21.8
occ:1.00
FE A:HEC610 0.0 21.8 1.0
NB A:HEC610 1.9 21.3 1.0
N A:HOA615 1.9 23.2 1.0
NC A:HEC610 2.0 21.1 1.0
NA A:HEC610 2.0 22.3 1.0
ND A:HEC610 2.0 20.5 1.0
NE2 A:HIS227 2.1 21.0 1.0
O A:HOA615 2.7 23.8 1.0
C1B A:HEC610 2.9 22.4 1.0
CE1 A:HIS227 2.9 21.4 1.0
C4A A:HEC610 3.0 22.7 1.0
C4B A:HEC610 3.0 22.4 1.0
C4C A:HEC610 3.0 20.8 1.0
C1D A:HEC610 3.0 20.4 1.0
C1C A:HEC610 3.0 21.4 1.0
C4D A:HEC610 3.0 21.6 1.0
C1A A:HEC610 3.0 22.5 1.0
CD2 A:HIS227 3.3 20.9 1.0
CHB A:HEC610 3.3 23.2 1.0
CHD A:HEC610 3.4 20.2 1.0
CHC A:HEC610 3.4 21.8 1.0
CHA A:HEC610 3.4 21.6 1.0
C2B A:HEC610 4.1 21.7 1.0
ND1 A:HIS227 4.1 20.5 1.0
C3B A:HEC610 4.1 21.4 1.0
C2C A:HEC610 4.2 21.1 1.0
C3C A:HEC610 4.2 21.1 1.0
C3A A:HEC610 4.2 22.9 1.0
C2D A:HEC610 4.2 19.6 1.0
C2A A:HEC610 4.2 22.9 1.0
C3D A:HEC610 4.2 20.2 1.0
NE2 A:HIS263 4.3 23.7 1.0
CG A:HIS227 4.3 20.3 1.0
CD2 A:HIS263 4.9 24.2 1.0

Iron binding site 5 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe611

b:18.9
occ:1.00
FE A:HEM611 0.0 18.9 1.0
NB A:HEM611 2.0 19.2 1.0
NA A:HEM611 2.0 18.2 1.0
ND A:HEM611 2.0 18.2 1.0
NC A:HEM611 2.1 18.8 1.0
NE2 A:HIS311 2.1 18.4 1.0
NE2 A:HIS238 2.1 18.6 1.0
C1B A:HEM611 3.0 18.9 1.0
C4B A:HEM611 3.0 19.6 1.0
CD2 A:HIS238 3.0 17.9 1.0
C1D A:HEM611 3.0 18.3 1.0
C4A A:HEM611 3.0 18.0 1.0
C4C A:HEM611 3.1 18.0 1.0
C1A A:HEM611 3.1 18.4 1.0
CD2 A:HIS311 3.1 19.2 1.0
C4D A:HEM611 3.1 18.4 1.0
CE1 A:HIS311 3.1 19.1 1.0
C1C A:HEM611 3.1 18.8 1.0
CE1 A:HIS238 3.1 18.9 1.0
CHB A:HEM611 3.4 18.5 1.0
CHD A:HEM611 3.4 18.1 1.0
CHA A:HEM611 3.4 18.4 1.0
CHC A:HEM611 3.4 19.4 1.0
CG A:HIS238 4.2 18.4 1.0
ND1 A:HIS311 4.2 18.9 1.0
ND1 A:HIS238 4.2 18.5 1.0
C3B A:HEM611 4.2 19.6 1.0
CG A:HIS311 4.2 19.6 1.0
C2B A:HEM611 4.2 19.1 1.0
C3A A:HEM611 4.3 17.5 1.0
C2A A:HEM611 4.3 17.7 1.0
C2D A:HEM611 4.3 18.4 1.0
C3C A:HEM611 4.3 17.2 1.0
C2C A:HEM611 4.3 18.0 1.0
C3D A:HEM611 4.3 18.4 1.0
O A:HOH847 4.6 18.7 1.0
CG A:GLU186 4.9 20.4 1.0
CE A:MET306 5.0 19.4 1.0

Iron binding site 6 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe612

b:18.9
occ:1.00
FE A:HEM612 0.0 18.9 1.0
NB A:HEM612 2.0 17.4 1.0
NC A:HEM612 2.0 18.2 1.0
NA A:HEM612 2.1 18.7 1.0
ND A:HEM612 2.1 18.9 1.0
NE2 A:HIS198 2.1 18.4 1.0
NE2 A:HIS258 2.1 19.2 1.0
CD2 A:HIS198 3.0 18.5 1.0
C1B A:HEM612 3.0 17.9 1.0
C4B A:HEM612 3.0 18.1 1.0
C1D A:HEM612 3.1 19.2 1.0
CE1 A:HIS258 3.1 19.6 1.0
C4C A:HEM612 3.1 18.7 1.0
C4A A:HEM612 3.1 18.3 1.0
C4D A:HEM612 3.1 19.3 1.0
C1C A:HEM612 3.1 17.4 1.0
C1A A:HEM612 3.1 18.7 1.0
CD2 A:HIS258 3.1 19.7 1.0
CE1 A:HIS198 3.1 18.8 1.0
CHB A:HEM612 3.4 17.8 1.0
CHC A:HEM612 3.4 17.4 1.0
CHD A:HEM612 3.4 18.6 1.0
CHA A:HEM612 3.4 19.1 1.0
CG A:HIS198 4.2 18.3 1.0
ND1 A:HIS258 4.2 19.6 1.0
ND1 A:HIS198 4.2 18.4 1.0
CG A:HIS258 4.2 20.2 1.0
C2B A:HEM612 4.3 17.5 1.0
C3B A:HEM612 4.3 17.2 1.0
C3A A:HEM612 4.3 18.4 1.0
C2C A:HEM612 4.3 17.4 1.0
C2D A:HEM612 4.3 19.2 1.0
C2A A:HEM612 4.3 19.0 1.0
C3C A:HEM612 4.3 17.7 1.0
C3D A:HEM612 4.3 20.1 1.0
CMD A:HEC610 4.8 18.9 1.0
O A:HOH864 4.9 18.8 1.0

Iron binding site 7 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe613

b:17.2
occ:1.00
FE A:HEM613 0.0 17.2 1.0
NB A:HEM613 2.0 17.1 1.0
NA A:HEM613 2.0 17.8 1.0
NC A:HEM613 2.1 16.6 1.0
ND A:HEM613 2.1 16.6 1.0
NE2 A:HIS305 2.1 18.0 1.0
NE2 A:HIS443 2.1 19.3 1.0
C4B A:HEM613 3.0 17.0 1.0
C1B A:HEM613 3.0 17.2 1.0
CE1 A:HIS305 3.0 19.2 1.0
C4A A:HEM613 3.0 18.2 1.0
CD2 A:HIS443 3.0 18.9 1.0
C1A A:HEM613 3.0 17.9 1.0
C1C A:HEM613 3.1 17.4 1.0
C4C A:HEM613 3.1 16.8 1.0
C4D A:HEM613 3.1 17.2 1.0
C1D A:HEM613 3.1 17.2 1.0
CD2 A:HIS305 3.1 18.3 1.0
CE1 A:HIS443 3.1 19.8 1.0
CHB A:HEM613 3.4 17.6 1.0
CHC A:HEM613 3.4 17.1 1.0
CHA A:HEM613 3.4 17.3 1.0
CHD A:HEM613 3.4 16.9 1.0
ND1 A:HIS305 4.2 19.1 1.0
CG A:HIS443 4.2 19.0 1.0
ND1 A:HIS443 4.2 19.5 1.0
C3B A:HEM613 4.2 17.7 1.0
CG A:HIS305 4.2 18.6 1.0
C2B A:HEM613 4.2 17.5 1.0
C2A A:HEM613 4.2 18.2 1.0
C3A A:HEM613 4.2 18.6 1.0
C2C A:HEM613 4.3 16.9 1.0
C3C A:HEM613 4.3 15.8 1.0
C3D A:HEM613 4.3 17.4 1.0
C2D A:HEM613 4.3 16.4 1.0

Iron binding site 8 out of 8 in 4n4k

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


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 Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe614

b:18.3
occ:1.00
FE A:HEM614 0.0 18.3 1.0
NA A:HEM614 2.0 17.6 1.0
NC A:HEM614 2.0 18.2 1.0
NB A:HEM614 2.1 18.3 1.0
ND A:HEM614 2.1 17.6 1.0
NE2 A:HIS350 2.1 20.6 1.0
NE2 A:HIS274 2.1 17.3 1.0
CE1 A:HIS350 3.0 21.1 1.0
CE1 A:HIS274 3.0 17.6 1.0
C1A A:HEM614 3.0 17.4 1.0
C4D A:HEM614 3.1 17.6 1.0
C1C A:HEM614 3.1 18.4 1.0
C1D A:HEM614 3.1 18.2 1.0
C4B A:HEM614 3.1 18.5 1.0
C1B A:HEM614 3.1 18.2 1.0
C4C A:HEM614 3.1 18.4 1.0
C4A A:HEM614 3.1 17.9 1.0
CD2 A:HIS274 3.1 16.7 1.0
CD2 A:HIS350 3.1 21.0 1.0
CHA A:HEM614 3.4 17.4 1.0
CHD A:HEM614 3.4 17.7 1.0
CHC A:HEM614 3.4 18.1 1.0
CHB A:HEM614 3.4 18.0 1.0
ND1 A:HIS350 4.1 20.4 1.0
ND1 A:HIS274 4.2 17.1 1.0
CG A:HIS274 4.2 17.4 1.0
CG A:HIS350 4.2 21.9 1.0
C2A A:HEM614 4.3 17.7 1.0
C2B A:HEM614 4.3 18.9 1.0
C2C A:HEM614 4.3 18.4 1.0
C3A A:HEM614 4.3 17.9 1.0
C3B A:HEM614 4.3 18.6 1.0
C3D A:HEM614 4.3 17.7 1.0
C2D A:HEM614 4.3 17.2 1.0
C3C A:HEM614 4.3 18.1 1.0
O A:HOH804 4.7 18.5 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: Mon Aug 5 07:09:23 2024

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