Iron in PDB 6t5e: Hydroxylamine Oxidoreductase From Brocadia Fulgida

The structure of Hydroxylamine Oxidoreductase From Brocadia Fulgida, PDB code: 6t5e was solved by M.Akram, A.Dietl, M.Mueller, T.Barends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.08 / 3.30
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	124.560, 124.560, 124.560, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.4

The binding sites of Iron atom in the Hydroxylamine Oxidoreductase From Brocadia Fulgida (pdb code 6t5e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Hydroxylamine Oxidoreductase From Brocadia Fulgida, PDB code: 6t5e:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:95.9 occ:1.00 FE A:HEC601 0.0 95.9 1.0 ND A:HEC601 1.9 98.1 1.0 NA A:HEC601 2.0 96.4 1.0 NC A:HEC601 2.1 96.7 1.0 NB A:HEC601 2.1 95.7 1.0 NE2 A:HIS117 2.1 93.8 1.0 NE2 A:HIS166 2.1 95.9 1.0 C4D A:HEC601 2.9 98.3 1.0 C1D A:HEC601 2.9 99.3 1.0 CE1 A:HIS117 2.9 93.6 1.0 CE1 A:HIS166 2.9 96.5 1.0 C1A A:HEC601 3.0 96.4 1.0 C4A A:HEC601 3.0 96.5 1.0 C4C A:HEC601 3.0 96.8 1.0 C1B A:HEC601 3.1 96.0 1.0 C4B A:HEC601 3.1 95.5 1.0 C1C A:HEC601 3.1 97.0 1.0 CD2 A:HIS117 3.2 94.0 1.0 CD2 A:HIS166 3.2 95.8 1.0 CHA A:HEC601 3.3 97.1 1.0 CHD A:HEC601 3.4 98.0 1.0 CHB A:HEC601 3.5 96.4 1.0 CHC A:HEC601 3.5 96.5 1.0 ND1 A:HIS117 4.1 94.1 1.0 ND1 A:HIS166 4.1 96.8 1.0 C3D A:HEC601 4.1 0.2 1.0 C2D A:HEC601 4.1 0.0 1.0 C2A A:HEC601 4.2 95.6 1.0 C3A A:HEC601 4.2 96.3 1.0 C3C A:HEC601 4.3 96.3 1.0 CG A:HIS117 4.3 94.2 1.0 CG A:HIS166 4.3 96.4 1.0 C2C A:HEC601 4.3 97.0 1.0 C2B A:HEC601 4.3 95.7 1.0 C3B A:HEC601 4.3 95.5 1.0

Iron binding site 2 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:83.9 occ:1.00 FE A:HEC602 0.0 83.9 1.0 ND A:HEC602 1.9 85.1 1.0 NA A:HEC602 2.0 85.2 1.0 NC A:HEC602 2.1 83.8 1.0 NE2 A:HIS162 2.1 86.7 1.0 NB A:HEC602 2.1 84.6 1.0 NE2 A:HIS239 2.1 84.3 1.0 C4D A:HEC602 2.9 85.5 1.0 C1D A:HEC602 2.9 85.1 1.0 C1A A:HEC602 3.0 86.0 1.0 CE1 A:HIS239 3.0 86.0 1.0 C4A A:HEC602 3.0 86.0 1.0 C4C A:HEC602 3.0 83.5 1.0 CE1 A:HIS162 3.1 87.6 1.0 C1B A:HEC602 3.1 85.5 1.0 C4B A:HEC602 3.1 84.7 1.0 CD2 A:HIS162 3.1 87.7 1.0 C1C A:HEC602 3.1 84.2 1.0 CD2 A:HIS239 3.2 84.9 1.0 CHA A:HEC602 3.3 85.7 1.0 CHD A:HEC602 3.4 84.2 1.0 CHB A:HEC602 3.5 86.5 1.0 CHC A:HEC602 3.5 84.5 1.0 C3D A:HEC602 4.1 86.2 1.0 C2D A:HEC602 4.1 86.2 1.0 ND1 A:HIS239 4.2 87.5 1.0 C2A A:HEC602 4.2 86.6 1.0 ND1 A:HIS162 4.2 87.7 1.0 C3A A:HEC602 4.2 85.7 1.0 CG A:HIS162 4.2 87.2 1.0 CG A:HIS239 4.3 87.0 1.0 C3C A:HEC602 4.3 83.9 1.0 C2C A:HEC602 4.3 84.1 1.0 C2B A:HEC602 4.3 85.2 1.0 C3B A:HEC602 4.3 84.8 1.0

Iron binding site 3 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:84.8 occ:1.00 FE A:HEC603 0.0 84.8 1.0 ND A:HEC603 1.9 85.3 1.0 NA A:HEC603 2.0 84.3 1.0 NC A:HEC603 2.1 84.1 1.0 NE2 A:HIS181 2.1 84.2 1.0 NB A:HEC603 2.1 82.9 1.0 NE2 A:HIS133 2.1 85.8 1.0 CE1 A:HIS181 2.8 84.3 1.0 C4D A:HEC603 2.9 85.1 1.0 C1D A:HEC603 2.9 85.8 1.0 C1A A:HEC603 3.0 84.6 1.0 CE1 A:HIS133 3.0 85.8 1.0 C4C A:HEC603 3.0 84.8 1.0 C4A A:HEC603 3.0 83.5 1.0 C1B A:HEC603 3.1 82.9 1.0 C4B A:HEC603 3.1 83.4 1.0 CD2 A:HIS133 3.1 86.1 1.0 C1C A:HEC603 3.1 85.0 1.0 CD2 A:HIS181 3.3 84.5 1.0 CHA A:HEC603 3.3 84.6 1.0 CHD A:HEC603 3.3 85.1 1.0 CHB A:HEC603 3.4 83.3 1.0 CHC A:HEC603 3.5 84.7 1.0 ND1 A:HIS181 4.0 84.3 1.0 ND1 A:HIS133 4.1 85.9 1.0 C3D A:HEC603 4.1 85.8 1.0 C2D A:HEC603 4.1 85.8 1.0 C2A A:HEC603 4.2 85.2 1.0 CG A:HIS133 4.2 86.5 1.0 C3A A:HEC603 4.2 83.8 1.0 CG A:HIS181 4.3 84.5 1.0 C3C A:HEC603 4.3 85.8 1.0 C2C A:HEC603 4.3 85.8 1.0 C2B A:HEC603 4.3 83.0 1.0 C3B A:HEC603 4.3 82.9 1.0

Iron binding site 4 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:0.7 occ:1.00 FE A:HEC604 0.0 0.7 1.0 NB A:HEC604 1.9 0.5 1.0 NA A:HEC604 1.9 0.5 1.0 ND A:HEC604 1.9 0.4 1.0 NC A:HEC604 1.9 0.0 1.0 NE2 A:HIS225 2.1 0.4 1.0 CE1 A:HIS225 2.8 0.1 1.0 C1B A:HEC604 2.9 0.6 1.0 C4A A:HEC604 2.9 0.6 1.0 C1C A:HEC604 2.9 0.0 1.0 C4D A:HEC604 2.9 0.7 1.0 C1D A:HEC604 3.0 1.0 1.0 C1A A:HEC604 3.0 1.0 1.0 C4C A:HEC604 3.0 0.8 1.0 C4B A:HEC604 3.0 0.7 1.0 CHD A:HEC604 3.3 0.4 1.0 CHA A:HEC604 3.3 0.8 1.0 CHB A:HEC604 3.3 0.3 1.0 CD2 A:HIS225 3.3 0.2 1.0 CHC A:HEC604 3.4 0.3 1.0 C2B A:HEC604 4.0 0.6 1.0 ND1 A:HIS225 4.1 0.8 1.0 C3A A:HEC604 4.1 0.2 1.0 C3B A:HEC604 4.1 0.0 1.0 C3D A:HEC604 4.2 0.6 1.0 C2D A:HEC604 4.2 0.1 1.0 C2C A:HEC604 4.2 0.4 1.0 C2A A:HEC604 4.2 0.4 1.0 C3C A:HEC604 4.2 0.6 1.0 CG A:HIS225 4.3 0.8 1.0

Iron binding site 5 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:82.0 occ:1.00 FE A:HEC605 0.0 82.0 1.0 ND A:HEC605 1.9 81.0 1.0 NA A:HEC605 2.0 81.2 1.0 NC A:HEC605 2.1 81.5 1.0 NE2 A:HIS309 2.1 88.8 1.0 NB A:HEC605 2.1 82.0 1.0 NE2 A:HIS236 2.1 88.5 1.0 CE1 A:HIS236 2.8 91.4 1.0 C4D A:HEC605 2.9 80.7 1.0 C1D A:HEC605 2.9 80.6 1.0 C1A A:HEC605 3.0 81.2 1.0 CE1 A:HIS309 3.0 91.9 1.0 C4C A:HEC605 3.0 81.8 1.0 C4A A:HEC605 3.1 81.4 1.0 C1B A:HEC605 3.1 82.5 1.0 C4B A:HEC605 3.1 82.3 1.0 C1C A:HEC605 3.1 81.5 1.0 CD2 A:HIS309 3.2 91.5 1.0 CD2 A:HIS236 3.3 90.5 1.0 CHA A:HEC605 3.3 80.4 1.0 CHD A:HEC605 3.4 80.9 1.0 CHB A:HEC605 3.5 82.0 1.0 CHC A:HEC605 3.5 81.8 1.0 ND1 A:HIS236 4.0 91.5 1.0 C3D A:HEC605 4.1 81.3 1.0 C2D A:HEC605 4.1 81.1 1.0 ND1 A:HIS309 4.2 93.5 1.0 C2A A:HEC605 4.2 81.9 1.0 C3A A:HEC605 4.2 81.0 1.0 CG A:HIS309 4.3 93.7 1.0 C3C A:HEC605 4.3 82.0 1.0 CG A:HIS236 4.3 91.6 1.0 C2B A:HEC605 4.3 82.6 1.0 C2C A:HEC605 4.3 81.6 1.0 C3B A:HEC605 4.4 82.5 1.0

Iron binding site 6 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:88.9 occ:1.00 FE A:HEC606 0.0 88.9 1.0 ND A:HEC606 1.9 90.2 1.0 NA A:HEC606 2.0 90.8 1.0 NC A:HEC606 2.1 88.7 1.0 NE2 A:HIS256 2.1 90.0 1.0 NE2 A:HIS196 2.1 89.2 1.0 NB A:HEC606 2.1 89.2 1.0 C4D A:HEC606 2.9 91.5 1.0 C1D A:HEC606 2.9 89.8 1.0 CE1 A:HIS256 2.9 91.4 1.0 C1A A:HEC606 2.9 92.7 1.0 CD2 A:HIS196 3.0 89.5 1.0 C4C A:HEC606 3.0 88.7 1.0 C4A A:HEC606 3.0 90.8 1.0 C1B A:HEC606 3.1 90.1 1.0 C4B A:HEC606 3.1 89.0 1.0 CE1 A:HIS196 3.1 90.5 1.0 C1C A:HEC606 3.1 88.2 1.0 CD2 A:HIS256 3.2 89.7 1.0 CHA A:HEC606 3.3 92.4 1.0 CHD A:HEC606 3.3 88.9 1.0 CHB A:HEC606 3.4 90.0 1.0 CHC A:HEC606 3.5 88.3 1.0 ND1 A:HIS256 4.1 90.8 1.0 C3D A:HEC606 4.1 92.6 1.0 C2D A:HEC606 4.1 90.9 1.0 CG A:HIS196 4.1 89.8 1.0 C2A A:HEC606 4.2 94.6 1.0 ND1 A:HIS196 4.2 90.6 1.0 C3A A:HEC606 4.2 92.9 1.0 C3C A:HEC606 4.3 88.0 1.0 CG A:HIS256 4.3 90.6 1.0 C2B A:HEC606 4.3 90.5 1.0 C2C A:HEC606 4.3 87.6 1.0 C3B A:HEC606 4.3 90.4 1.0 CMD A:HEC604 5.0 0.7 1.0

Iron binding site 7 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe607 b:88.1 occ:1.00 FE A:HEC607 0.0 88.1 1.0 ND A:HEC607 1.9 90.0 1.0 NA A:HEC607 2.0 90.1 1.0 NC A:HEC607 2.1 88.2 1.0 NB A:HEC607 2.1 87.6 1.0 NE2 A:HIS441 2.1 95.7 1.0 NE2 A:HIS303 2.1 90.6 1.0 CD2 A:HIS441 2.8 97.8 1.0 C4D A:HEC607 2.9 90.7 1.0 C1D A:HEC607 2.9 90.5 1.0 C1A A:HEC607 2.9 91.7 1.0 CE1 A:HIS303 3.0 90.9 1.0 C4A A:HEC607 3.0 91.2 1.0 C4C A:HEC607 3.0 88.5 1.0 C1B A:HEC607 3.1 87.7 1.0 C4B A:HEC607 3.1 87.2 1.0 C1C A:HEC607 3.1 87.9 1.0 CD2 A:HIS303 3.2 90.7 1.0 CE1 A:HIS441 3.3 98.8 1.0 CHA A:HEC607 3.3 90.5 1.0 CHD A:HEC607 3.3 89.4 1.0 CHB A:HEC607 3.4 89.6 1.0 CHC A:HEC607 3.5 87.9 1.0 CG A:HIS441 4.1 98.4 1.0 C3D A:HEC607 4.1 91.9 1.0 C2D A:HEC607 4.1 91.5 1.0 ND1 A:HIS303 4.1 90.6 1.0 C2A A:HEC607 4.2 94.0 1.0 C3A A:HEC607 4.2 92.9 1.0 ND1 A:HIS441 4.3 99.2 1.0 C3C A:HEC607 4.3 88.7 1.0 CG A:HIS303 4.3 89.7 1.0 C2C A:HEC607 4.3 88.2 1.0 C2B A:HEC607 4.3 86.7 1.0 C3B A:HEC607 4.3 86.3 1.0

Iron binding site 8 out of 8 in the Hydroxylamine Oxidoreductase From Brocadia Fulgida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Hydroxylamine Oxidoreductase From Brocadia Fulgida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe608 b:84.3 occ:1.00 FE A:HEC608 0.0 84.3 1.0 ND A:HEC608 1.9 85.1 1.0 NA A:HEC608 2.0 84.7 1.0 NC A:HEC608 2.1 85.5 1.0 NE2 A:HIS348 2.1 86.0 1.0 NE2 A:HIS272 2.1 87.6 1.0 NB A:HEC608 2.1 84.1 1.0 C4D A:HEC608 2.9 85.8 1.0 C1D A:HEC608 2.9 85.5 1.0 C1A A:HEC608 2.9 84.9 1.0 CE1 A:HIS272 3.0 88.8 1.0 CE1 A:HIS348 3.0 86.6 1.0 CD2 A:HIS348 3.0 86.4 1.0 C4A A:HEC608 3.0 85.2 1.0 C4C A:HEC608 3.0 86.3 1.0 C1B A:HEC608 3.1 84.0 1.0 C4B A:HEC608 3.1 85.1 1.0 C1C A:HEC608 3.1 85.7 1.0 CD2 A:HIS272 3.2 87.7 1.0 CHA A:HEC608 3.3 85.5 1.0 CHD A:HEC608 3.4 86.0 1.0 CHB A:HEC608 3.5 84.8 1.0 CHC A:HEC608 3.5 85.4 1.0 ND1 A:HIS348 4.1 86.4 1.0 CG A:HIS348 4.1 86.6 1.0 C3D A:HEC608 4.1 86.8 1.0 ND1 A:HIS272 4.1 88.4 1.0 C2A A:HEC608 4.1 85.1 1.0 C2D A:HEC608 4.1 85.9 1.0 C3A A:HEC608 4.2 85.4 1.0 CG A:HIS272 4.3 87.7 1.0 C3C A:HEC608 4.3 87.1 1.0 C2B A:HEC608 4.3 84.5 1.0 C2C A:HEC608 4.3 86.1 1.0 C3B A:HEC608 4.3 85.2 1.0 CG A:PRO297 5.0 89.7 1.0

M.Akram, A.Dietl, M.Mueller, T.Barends. Purification of the Key Enzyme Complexes of the Anammox Pathway From Demon Sludge To Be Published.