Iron in PDB 6m0p: Hydroxylamine Oxidoreductase in Complex with Juglone

The structure of Hydroxylamine Oxidoreductase in Complex with Juglone, PDB code: 6m0p was solved by T.Fujiwara, Z.Fujimoto, Y.Nishigaya, T.Yamazaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.77 / 2.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	139.34, 141.07, 106.09, 90, 90, 90
R / Rfree (%)	25.6 / 29.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Hydroxylamine Oxidoreductase in Complex with Juglone (pdb code 6m0p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Hydroxylamine Oxidoreductase in Complex with Juglone, PDB code: 6m0p:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:47.5 occ:1.00 FE A:HEC601 0.0 47.5 1.0 NE2 A:HIS267 2.0 68.5 1.0 NE2 A:HIS347 2.0 65.7 1.0 NC A:HEC601 2.0 49.0 1.0 NA A:HEC601 2.1 57.6 1.0 NB A:HEC601 2.1 54.4 1.0 ND A:HEC601 2.1 61.7 1.0 CE1 A:HIS267 2.8 64.1 1.0 CE1 A:HIS347 2.9 64.0 1.0 C4C A:HEC601 3.1 56.2 1.0 C4B A:HEC601 3.1 55.1 1.0 C1B A:HEC601 3.1 53.8 1.0 C1A A:HEC601 3.1 63.8 1.0 C1C A:HEC601 3.1 51.1 1.0 C4A A:HEC601 3.1 59.6 1.0 C1D A:HEC601 3.1 66.3 1.0 C4D A:HEC601 3.1 64.8 1.0 CD2 A:HIS347 3.1 47.7 1.0 CD2 A:HIS267 3.1 64.6 1.0 CHD A:HEC601 3.4 62.8 1.0 CHB A:HEC601 3.4 51.1 1.0 CHA A:HEC601 3.4 65.5 1.0 CHC A:HEC601 3.4 55.7 1.0 ND1 A:HIS267 4.0 65.3 1.0 ND1 A:HIS347 4.1 66.1 1.0 CG A:HIS267 4.2 66.9 1.0 CG A:HIS347 4.2 63.9 1.0 C2B A:HEC601 4.2 54.8 1.0 C3B A:HEC601 4.2 49.7 1.0 C3C A:HEC601 4.3 46.6 1.0 C2C A:HEC601 4.3 48.9 1.0 C2A A:HEC601 4.3 69.4 1.0 C3A A:HEC601 4.3 66.4 1.0 C2D A:HEC601 4.3 67.3 1.0 C3D A:HEC601 4.3 64.9 1.0 CG A:GLU203 4.9 73.8 1.0

Iron binding site 2 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:45.0 occ:1.00 FE A:HEC602 0.0 45.0 1.0 NE2 A:HIS200 1.9 84.4 1.0 NE2 A:HIS123 2.0 81.1 1.0 NC A:HEC602 2.0 62.4 1.0 NA A:HEC602 2.1 57.9 1.0 NB A:HEC602 2.1 51.9 1.0 ND A:HEC602 2.1 60.8 1.0 CD2 A:HIS200 2.8 83.3 1.0 CE1 A:HIS123 2.8 77.5 1.0 CE1 A:HIS200 3.0 86.1 1.0 C4C A:HEC602 3.0 69.6 1.0 C1D A:HEC602 3.1 70.8 1.0 CD2 A:HIS123 3.1 79.6 1.0 C1C A:HEC602 3.1 66.8 1.0 C1A A:HEC602 3.1 63.6 1.0 C4D A:HEC602 3.1 67.5 1.0 C4B A:HEC602 3.1 54.9 1.0 C4A A:HEC602 3.1 61.6 1.0 C1B A:HEC602 3.1 51.4 1.0 CHD A:HEC602 3.4 73.6 1.0 CHA A:HEC602 3.4 65.9 1.0 CHC A:HEC602 3.4 60.8 1.0 CHB A:HEC602 3.5 56.1 1.0 CG A:HIS200 4.0 83.8 1.0 ND1 A:HIS123 4.0 76.8 1.0 ND1 A:HIS200 4.0 85.7 1.0 CG A:HIS123 4.1 77.5 1.0 C2C A:HEC602 4.3 65.1 1.0 C3C A:HEC602 4.3 59.0 1.0 C2D A:HEC602 4.3 72.6 1.0 C2A A:HEC602 4.3 65.0 1.0 C3D A:HEC602 4.3 72.7 1.0 C3B A:HEC602 4.3 45.9 1.0 C3A A:HEC602 4.3 64.5 1.0 C2B A:HEC602 4.3 50.3 1.0

Iron binding site 3 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:40.0 occ:1.00 FE A:HEC603 0.0 40.0 1.0 NE2 A:HIS107 1.9 75.3 1.0 NE2 A:HIS184 2.0 80.8 1.0 NC A:HEC603 2.0 41.0 1.0 NA A:HEC603 2.0 41.4 1.0 NB A:HEC603 2.0 45.0 1.0 ND A:HEC603 2.1 40.1 1.0 CE1 A:HIS107 2.7 74.5 1.0 CD2 A:HIS184 2.9 78.4 1.0 CE1 A:HIS184 3.0 76.5 1.0 C1B A:HEC603 3.0 48.0 1.0 C4A A:HEC603 3.0 44.1 1.0 C4B A:HEC603 3.1 48.4 1.0 C4C A:HEC603 3.1 40.2 1.0 C1C A:HEC603 3.1 42.5 1.0 C1A A:HEC603 3.1 36.0 1.0 CD2 A:HIS107 3.1 77.8 1.0 C1D A:HEC603 3.1 36.9 1.0 C4D A:HEC603 3.1 33.4 1.0 CHB A:HEC603 3.4 49.3 1.0 CHC A:HEC603 3.4 45.1 1.0 CHD A:HEC603 3.4 41.2 1.0 CHA A:HEC603 3.5 26.9 1.0 ND1 A:HIS107 3.9 74.2 1.0 ND1 A:HIS184 4.1 75.9 1.0 CG A:HIS184 4.1 76.8 1.0 CG A:HIS107 4.1 75.9 1.0 C2B A:HEC603 4.2 48.6 1.0 C3B A:HEC603 4.3 47.4 1.0 C2C A:HEC603 4.3 41.4 1.0 C3C A:HEC603 4.3 36.8 1.0 C3A A:HEC603 4.3 38.6 1.0 C2A A:HEC603 4.3 41.2 1.0 C2D A:HEC603 4.4 30.2 1.0 C3D A:HEC603 4.4 35.8 1.0

Iron binding site 4 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:31.9 occ:1.00 FE A:HEC604 0.0 31.9 1.0 NE2 A:HIS173 2.0 82.4 1.0 NE2 A:HIS270 2.0 71.5 1.0 NA A:HEC604 2.0 25.1 1.0 NB A:HEC604 2.1 36.9 1.0 NC A:HEC604 2.1 34.7 1.0 ND A:HEC604 2.1 27.8 1.0 CE1 A:HIS173 2.5 85.5 1.0 CD2 A:HIS270 2.6 72.9 1.0 C4A A:HEC604 3.1 31.6 1.0 C1B A:HEC604 3.1 37.2 1.0 C4C A:HEC604 3.1 33.4 1.0 C1D A:HEC604 3.1 27.3 1.0 C1A A:HEC604 3.1 22.8 1.0 C1C A:HEC604 3.1 38.8 1.0 C4B A:HEC604 3.1 39.5 1.0 C4D A:HEC604 3.1 24.6 1.0 CE1 A:HIS270 3.2 70.7 1.0 CD2 A:HIS173 3.2 87.5 1.0 CHB A:HEC604 3.4 38.3 1.0 CHD A:HEC604 3.4 32.1 1.0 CHA A:HEC604 3.5 20.9 1.0 CHC A:HEC604 3.5 40.4 1.0 ND1 A:HIS173 3.8 84.8 1.0 CG A:HIS270 3.9 71.6 1.0 ND1 A:HIS270 4.1 70.6 1.0 CG A:HIS173 4.1 84.3 1.0 C3A A:HEC604 4.3 27.2 1.0 C2B A:HEC604 4.3 41.4 1.0 C3C A:HEC604 4.3 34.6 1.0 C2A A:HEC604 4.3 30.6 1.0 C3B A:HEC604 4.3 37.8 1.0 C2C A:HEC604 4.3 39.5 1.0 C2D A:HEC604 4.3 25.6 1.0 C3D A:HEC604 4.3 24.3 1.0

Iron binding site 5 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:34.5 occ:1.00 FE A:HEC605 0.0 34.5 1.0 NE2 A:HIS483 2.0 71.8 1.0 NE2 A:HIS338 2.0 63.0 1.0 NC A:HEC605 2.0 29.1 1.0 NB A:HEC605 2.1 33.5 1.0 NA A:HEC605 2.1 36.6 1.0 ND A:HEC605 2.1 29.2 1.0 CE1 A:HIS338 2.5 68.9 1.0 CE1 A:HIS483 2.8 71.5 1.0 CD2 A:HIS483 3.0 70.4 1.0 C1A A:HEC605 3.0 40.4 1.0 C4A A:HEC605 3.0 40.5 1.0 C1B A:HEC605 3.1 38.7 1.0 C4C A:HEC605 3.1 26.1 1.0 C4B A:HEC605 3.1 30.9 1.0 C1C A:HEC605 3.1 31.1 1.0 C4D A:HEC605 3.1 32.3 1.0 C1D A:HEC605 3.1 27.1 1.0 CD2 A:HIS338 3.3 68.2 1.0 CHA A:HEC605 3.4 37.0 1.0 CHB A:HEC605 3.4 39.9 1.0 CHD A:HEC605 3.4 25.8 1.0 CHC A:HEC605 3.4 32.6 1.0 ND1 A:HIS338 3.8 69.8 1.0 ND1 A:HIS483 3.9 68.8 1.0 CG A:HIS483 4.0 68.5 1.0 CG A:HIS338 4.2 70.5 1.0 C3A A:HEC605 4.2 44.0 1.0 C2A A:HEC605 4.2 47.3 1.0 C2B A:HEC605 4.3 39.5 1.0 C3B A:HEC605 4.3 31.4 1.0 C2C A:HEC605 4.3 30.6 1.0 C3C A:HEC605 4.3 33.9 1.0 C3D A:HEC605 4.3 28.6 1.0 C2D A:HEC605 4.3 32.1 1.0 ND2 A:ASN294 4.8 37.0 1.0

Iron binding site 6 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:25.0 occ:1.00 FE A:HEC606 0.0 25.0 1.0 NE2 A:HIS287 1.9 51.7 1.0 NE2 A:HIS228 1.9 74.2 1.0 NC A:HEC606 2.0 21.8 1.0 ND A:HEC606 2.1 15.9 1.0 NB A:HEC606 2.1 21.0 1.0 NA A:HEC606 2.1 25.2 1.0 CE1 A:HIS287 2.5 53.7 1.0 CE1 A:HIS228 2.9 74.6 1.0 CD2 A:HIS228 2.9 73.4 1.0 C4C A:HEC606 3.0 18.9 1.0 C1D A:HEC606 3.0 19.5 1.0 C1B A:HEC606 3.1 25.6 1.0 C4A A:HEC606 3.1 29.4 1.0 C4D A:HEC606 3.1 25.3 1.0 C1C A:HEC606 3.1 24.8 1.0 C1A A:HEC606 3.1 21.4 1.0 C4B A:HEC606 3.1 26.9 1.0 CD2 A:HIS287 3.1 53.8 1.0 CHD A:HEC606 3.4 20.2 1.0 CHB A:HEC606 3.4 27.6 1.0 CHA A:HEC606 3.5 21.6 1.0 CHC A:HEC606 3.5 27.3 1.0 ND1 A:HIS287 3.7 52.8 1.0 ND1 A:HIS228 4.0 76.2 1.0 CG A:HIS228 4.0 73.6 1.0 CG A:HIS287 4.0 51.7 1.0 C3C A:HEC606 4.3 25.1 1.0 C2C A:HEC606 4.3 27.3 1.0 C2D A:HEC606 4.3 18.8 1.0 C2B A:HEC606 4.3 26.5 1.0 C3A A:HEC606 4.3 32.8 1.0 C3D A:HEC606 4.3 27.7 1.0 C2A A:HEC606 4.3 30.0 1.0 C3B A:HEC606 4.3 29.4 1.0 ND2 A:ASN259 4.5 58.5 1.0 CMD A:ISW611 5.0 28.7 1.0

Iron binding site 7 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe607 b:39.9 occ:1.00 FE A:HEC607 0.0 39.9 1.0 NE2 A:HIS303 1.9 52.7 1.0 NE2 A:HIS388 1.9 72.7 1.0 NC A:HEC607 2.0 46.0 1.0 NB A:HEC607 2.1 41.9 1.0 NA A:HEC607 2.1 49.0 1.0 ND A:HEC607 2.1 41.7 1.0 CE1 A:HIS303 2.6 53.0 1.0 CD2 A:HIS388 2.8 72.4 1.0 CE1 A:HIS388 3.0 70.8 1.0 C4B A:HEC607 3.0 44.5 1.0 C1C A:HEC607 3.0 50.2 1.0 C4C A:HEC607 3.1 44.9 1.0 C1B A:HEC607 3.1 38.2 1.0 C4D A:HEC607 3.1 36.1 1.0 C1A A:HEC607 3.1 46.7 1.0 C4A A:HEC607 3.1 49.4 1.0 C1D A:HEC607 3.1 39.9 1.0 CD2 A:HIS303 3.1 51.8 1.0 CHC A:HEC607 3.4 48.0 1.0 CHA A:HEC607 3.4 36.4 1.0 CHD A:HEC607 3.4 42.4 1.0 CHB A:HEC607 3.5 45.7 1.0 ND1 A:HIS303 3.8 53.2 1.0 CG A:HIS388 4.0 71.0 1.0 ND1 A:HIS388 4.0 72.6 1.0 CG A:HIS303 4.1 50.6 1.0 C3B A:HEC607 4.3 36.3 1.0 C2B A:HEC607 4.3 33.3 1.0 C2C A:HEC607 4.3 54.5 1.0 C3C A:HEC607 4.3 48.3 1.0 C3A A:HEC607 4.3 53.7 1.0 C2A A:HEC607 4.3 50.5 1.0 C3D A:HEC607 4.3 37.7 1.0 C2D A:HEC607 4.3 27.8 1.0 CG A:PRO332 5.0 67.6 1.0

Iron binding site 8 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe608 b:37.8 occ:1.00 FE A:ISW608 0.0 37.8 1.0 NA A:ISW608 1.9 39.5 1.0 ND A:ISW608 1.9 39.9 1.0 NB A:ISW608 1.9 38.6 1.0 NC A:ISW608 1.9 35.3 1.0 NE2 E:HIS257 2.2 29.0 1.0 O E:HOH712 2.7 12.2 1.0 C1B A:ISW608 2.8 37.1 1.0 CE1 E:HIS257 2.9 29.2 1.0 C4C A:ISW608 2.9 37.3 1.0 C1A A:ISW608 3.0 39.5 1.0 C4A A:ISW608 3.0 35.2 1.0 C4D A:ISW608 3.0 38.8 1.0 C4B A:ISW608 3.1 38.1 1.0 C1D A:ISW608 3.1 38.2 1.0 C1C A:ISW608 3.1 35.3 1.0 CHB A:ISW608 3.4 33.7 1.0 CD2 E:HIS257 3.4 34.5 1.0 CHC A:ISW608 3.5 35.0 1.0 CHD A:ISW608 3.7 40.4 1.0 OH A:TYR491 3.7 66.9 1.0 CHA A:ISW608 3.7 38.2 1.0 ND1 E:HIS257 4.1 35.2 1.0 C3A A:ISW608 4.2 41.7 1.0 C2A A:ISW608 4.2 40.7 1.0 C2B A:ISW608 4.2 34.7 1.0 C3C A:ISW608 4.3 29.3 1.0 C3B A:ISW608 4.3 34.5 1.0 C2C A:ISW608 4.3 26.3 1.0 CZ A:TYR491 4.3 70.2 1.0 C3D A:ISW608 4.4 38.1 1.0 CG E:HIS257 4.4 37.4 1.0 C2D A:ISW608 4.4 37.6 1.0 CE2 A:TYR491 4.5 69.8 1.0 NE2 E:HIS292 4.6 53.0 1.0 CMD E:HEC606 4.9 51.9 1.0

Iron binding site 9 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe611 b:31.1 occ:1.00 FE A:ISW611 0.0 31.1 1.0 NA A:ISW611 1.9 42.5 1.0 ND A:ISW611 1.9 41.9 1.0 NB A:ISW611 1.9 49.0 1.0 NC A:ISW611 1.9 42.9 1.0 NE2 A:HIS257 2.2 47.6 1.0 O A:HOH720 2.7 35.4 1.0 C1B A:ISW611 2.8 42.0 1.0 CE1 A:HIS257 2.9 43.5 1.0 C4C A:ISW611 2.9 40.1 1.0 C1A A:ISW611 2.9 42.6 1.0 C4A A:ISW611 3.0 40.9 1.0 C4D A:ISW611 3.0 40.4 1.0 C4B A:ISW611 3.1 36.3 1.0 C1D A:ISW611 3.1 36.7 1.0 C1C A:ISW611 3.1 39.7 1.0 CHB A:ISW611 3.4 44.5 1.0 CD2 A:HIS257 3.5 42.7 1.0 CHC A:ISW611 3.5 45.2 1.0 OH C:TYR491 3.7 64.4 1.0 CHD A:ISW611 3.7 44.3 1.0 CHA A:ISW611 3.7 41.2 1.0 ND1 A:HIS257 4.1 44.1 1.0 C3A A:ISW611 4.2 48.6 1.0 C2A A:ISW611 4.2 49.1 1.0 C2B A:ISW611 4.2 34.5 1.0 C3C A:ISW611 4.2 35.8 1.0 C3B A:ISW611 4.2 36.8 1.0 CZ C:TYR491 4.3 60.6 1.0 C2C A:ISW611 4.3 38.7 1.0 C3D A:ISW611 4.4 39.8 1.0 C2D A:ISW611 4.4 32.9 1.0 CG A:HIS257 4.4 45.1 1.0 CE2 C:TYR491 4.5 57.9 1.0 NE2 A:HIS292 4.8 41.1 1.0 CMD A:HEC606 4.9 18.4 1.0

Iron binding site 10 out of 24 in the Hydroxylamine Oxidoreductase in Complex with Juglone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Hydroxylamine Oxidoreductase in Complex with Juglone within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:49.1 occ:1.00 FE C:HEC601 0.0 49.1 1.0 NE2 C:HIS267 2.0 78.6 1.0 NE2 C:HIS347 2.0 64.2 1.0 NC C:HEC601 2.0 51.5 1.0 NA C:HEC601 2.0 51.1 1.0 NB C:HEC601 2.1 48.8 1.0 ND C:HEC601 2.1 55.3 1.0 CE1 C:HIS267 2.7 76.7 1.0 CE1 C:HIS347 2.9 69.1 1.0 C4C C:HEC601 3.0 49.3 1.0 C4B C:HEC601 3.1 49.3 1.0 C1B C:HEC601 3.1 48.9 1.0 C1C C:HEC601 3.1 52.6 1.0 C1A C:HEC601 3.1 56.8 1.0 C4A C:HEC601 3.1 50.8 1.0 C1D C:HEC601 3.1 56.6 1.0 C4D C:HEC601 3.1 58.9 1.0 CD2 C:HIS347 3.1 68.0 1.0 CD2 C:HIS267 3.2 76.8 1.0 CHD C:HEC601 3.4 53.3 1.0 CHB C:HEC601 3.4 47.7 1.0 CHC C:HEC601 3.4 53.5 1.0 CHA C:HEC601 3.4 62.5 1.0 ND1 C:HIS267 4.0 77.0 1.0 ND1 C:HIS347 4.1 69.6 1.0 CG C:HIS267 4.2 74.5 1.0 CG C:HIS347 4.2 69.4 1.0 C2B C:HEC601 4.2 46.4 1.0 C3B C:HEC601 4.2 43.8 1.0 C3C C:HEC601 4.3 44.0 1.0 C2C C:HEC601 4.3 49.9 1.0 C2A C:HEC601 4.3 53.5 1.0 C3A C:HEC601 4.3 53.3 1.0 C2D C:HEC601 4.3 57.0 1.0 C3D C:HEC601 4.3 54.2 1.0 CG C:GLU203 5.0 77.3 1.0

T.Fujiwara, Z.Fujimoto, Y.Nishigaya, T.Yamazaki. Enhancement of the Activity of Hydroxylamine Oxidoreductase By Juglone, Plant Secondary Metabolite. To Be Published.