Iron in PDB 7qwt: Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation

The structure of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation, PDB code: 7qwt was solved by D.J.Hinchen, M.Zahn, A.Bleem, G.T.Beckham, J.E.Mcgeehan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	157.79 / 3.71
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	315.58, 315.58, 189.962, 90, 90, 120
R / Rfree (%)	17.4 / 21.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Iron atom in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation (pdb code 7qwt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 27 binding sites of Iron where determined in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation, PDB code: 7qwt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:78.9 occ:1.00 FE1 A:FES401 0.0 78.9 1.0 HD1 A:HIS55 1.3 90.5 0.0 HD1 A:HIS75 1.3 106.4 0.0 ND1 A:HIS75 2.1 109.5 1.0 ND1 A:HIS55 2.2 91.5 1.0 S2 A:FES401 2.2 62.2 1.0 S1 A:FES401 2.3 81.4 1.0 HB2 A:HIS75 2.8 116.8 1.0 H A:HIS75 2.8 116.0 1.0 HB3 A:TYR74 2.9 95.9 1.0 FE2 A:FES401 3.0 69.2 1.0 CE1 A:HIS55 3.0 110.2 1.0 CG A:HIS75 3.1 110.0 1.0 HB3 A:HIS55 3.1 80.2 1.0 CE1 A:HIS75 3.1 125.9 1.0 HE1 A:HIS55 3.1 107.3 1.0 CG A:HIS55 3.2 87.5 1.0 HE1 A:HIS75 3.3 121.0 1.0 CB A:HIS75 3.3 115.5 1.0 N A:HIS75 3.5 114.7 1.0 HB2 A:ARG56 3.6 122.7 1.0 HG A:CYS53 3.6 103.0 0.0 CB A:HIS55 3.6 79.3 1.0 HG A:CYS72 3.8 71.6 0.0 H A:ARG56 3.8 88.7 1.0 CB A:TYR74 3.8 92.2 1.0 CA A:HIS75 3.9 127.8 1.0 HB2 A:HIS55 4.1 80.3 1.0 NE2 A:HIS55 4.2 121.4 1.0 CD2 A:HIS75 4.2 118.1 1.0 NE2 A:HIS75 4.2 123.8 1.0 HB3 A:HIS75 4.2 117.0 1.0 CD2 A:HIS55 4.3 103.8 1.0 CG A:TYR74 4.3 92.1 1.0 HB2 A:TYR74 4.3 95.9 1.0 N A:ARG56 4.4 86.7 1.0 C A:TYR74 4.4 108.1 1.0 CB A:ARG56 4.5 127.2 1.0 SG A:CYS53 4.5 96.2 1.0 HD2 A:TYR74 4.5 95.1 1.0 HB3 A:ARG56 4.5 122.6 1.0 SG A:CYS72 4.5 73.0 1.0 HD11 A:LEU77 4.6 109.9 1.0 CD2 A:TYR74 4.6 93.9 1.0 C A:HIS75 4.7 134.7 1.0 CA A:TYR74 4.7 108.7 1.0 H A:ALA76 4.7 135.2 1.0 HA A:HIS75 4.8 124.0 1.0 HE2 A:HIS90 4.9 146.0 0.0 HG A:LEU77 4.9 115.7 1.0 HB3 A:CYS72 4.9 86.6 1.0 HB3 A:ALA58 4.9 84.3 1.0 HH11 A:ARG56 4.9 119.3 1.0 H A:LEU77 4.9 105.3 1.0 CA A:HIS55 4.9 75.2 1.0 HE2 A:HIS55 4.9 121.8 0.0 HD3 A:ARG56 5.0 130.1 1.0

Iron binding site 2 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:69.2 occ:1.00 FE2 A:FES401 0.0 69.2 1.0 HG A:CYS53 1.2 103.0 0.0 HG A:CYS72 1.2 71.6 0.0 SG A:CYS53 2.2 96.2 1.0 S2 A:FES401 2.2 62.2 1.0 S1 A:FES401 2.3 81.4 1.0 SG A:CYS72 2.4 73.0 1.0 HB3 A:CYS53 2.5 89.9 1.0 CB A:CYS53 2.7 88.2 1.0 HB2 A:CYS53 2.8 90.0 1.0 HB3 A:CYS72 2.9 86.6 1.0 FE1 A:FES401 3.0 78.9 1.0 CB A:CYS72 3.0 90.5 1.0 HB2 A:CYS72 3.2 86.7 1.0 HB3 A:HIS55 3.2 80.2 1.0 HB3 A:ALA58 3.2 84.3 1.0 HD1 A:HIS55 3.7 90.5 0.0 HB3 A:TYR74 3.7 95.9 1.0 H A:HIS75 3.9 116.0 1.0 H A:ARG56 3.9 88.7 1.0 HD1 A:HIS75 4.1 106.4 0.0 HD11 A:LEU77 4.1 109.9 1.0 CB A:HIS55 4.1 79.3 1.0 H A:ALA58 4.2 78.7 1.0 CA A:CYS53 4.2 87.7 1.0 CB A:ALA58 4.2 85.0 1.0 HB2 A:LEU77 4.2 116.1 1.0 H A:HIS55 4.3 67.9 1.0 HB2 A:HIS55 4.4 80.3 1.0 HB2 A:ALA58 4.4 84.3 1.0 HB2 A:TYR74 4.4 95.9 1.0 H A:TYR74 4.5 101.5 1.0 ND1 A:HIS55 4.5 91.5 1.0 CA A:CYS72 4.5 93.4 1.0 HD23 A:LEU60 4.5 101.1 1.0 CB A:TYR74 4.5 92.2 1.0 HA A:CYS53 4.6 86.2 1.0 HB1 A:ALA58 4.6 84.3 1.0 C A:CYS53 4.7 80.5 1.0 H A:LEU77 4.7 105.3 1.0 H A:ALA76 4.7 135.2 1.0 HE1 A:PHE79 4.7 78.2 1.0 N A:HIS75 4.8 114.7 1.0 O A:CYS53 4.8 93.3 1.0 CG A:HIS55 4.8 87.5 1.0 H A:CYS53 4.8 88.6 1.0 N A:ARG56 4.8 86.7 1.0 HD22 A:LEU60 4.8 101.2 1.0 N A:ALA58 4.9 72.3 1.0 ND1 A:HIS75 4.9 109.5 1.0 C A:CYS72 4.9 95.0 1.0 HA A:CYS72 5.0 92.3 1.0 O A:ALA58 5.0 77.7 1.0

Iron binding site 3 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:90.3 occ:1.00 HE2 A:HIS169 1.4 107.5 0.0 HE2 A:HIS164 1.6 89.9 0.0 OD2 A:ASP299 1.7 131.5 1.0 NE2 A:HIS169 2.3 108.5 1.0 CG A:ASP299 2.4 119.0 1.0 NE2 A:HIS164 2.5 89.2 1.0 OD1 A:ASP299 2.6 117.7 1.0 HD21 A:ASN158 2.6 99.7 1.0 CE1 A:HIS169 3.3 112.6 1.0 CD2 A:HIS169 3.3 109.6 1.0 CD2 A:HIS164 3.4 83.2 1.0 HE1 A:HIS169 3.4 113.4 1.0 CE1 A:HIS164 3.5 89.3 1.0 HD2 A:HIS169 3.5 110.0 1.0 ND2 A:ASN158 3.5 100.0 1.0 HD2 A:HIS164 3.5 87.0 1.0 HE1 A:HIS164 3.6 87.8 1.0 HD1 A:PHE295 3.6 104.2 1.0 CB A:ASP299 3.9 115.5 1.0 HD22 A:ASN158 3.9 99.8 1.0 HB2 A:ASP299 4.0 115.6 1.0 HE1 A:PHE295 4.1 106.6 1.0 HG12 A:ILE165 4.2 93.6 1.0 HB3 A:ASP299 4.3 115.7 1.0 HG12 A:VAL168 4.3 100.0 1.0 CG A:ASN158 4.4 99.5 1.0 OD1 A:ASN158 4.4 82.6 1.0 ND1 A:HIS169 4.4 121.7 1.0 CD1 A:PHE295 4.4 106.1 1.0 HG13 A:ILE165 4.4 93.5 1.0 CG A:HIS169 4.5 112.3 1.0 HD12 A:ILE173 4.5 120.4 1.0 HG11 A:VAL168 4.5 100.1 1.0 CG A:HIS164 4.6 93.3 1.0 ND1 A:HIS164 4.6 82.7 1.0 HA A:PHE295 4.7 94.8 1.0 CE1 A:PHE295 4.7 106.6 1.0 HA A:ASP299 4.8 110.2 1.0 CG1 A:ILE165 4.8 93.8 1.0 CG1 A:VAL168 4.9 99.2 1.0 CA A:ASP299 4.9 113.0 1.0

Iron binding site 4 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:75.5 occ:1.00 FE1 B:FES401 0.0 75.5 1.0 HG B:CYS72 1.1 115.3 0.0 HG B:CYS53 1.5 91.1 0.0 S2 B:FES401 2.2 84.2 1.0 SG B:CYS72 2.2 111.4 1.0 S1 B:FES401 2.2 69.4 1.0 SG B:CYS53 2.5 87.8 1.0 HB3 B:CYS72 2.5 93.8 1.0 CB B:CYS72 2.8 89.1 1.0 HB3 B:CYS53 2.9 94.2 1.0 FE2 B:FES401 2.9 86.7 1.0 CB B:CYS53 3.0 95.3 1.0 HB2 B:CYS72 3.1 93.9 1.0 HB2 B:CYS53 3.1 94.3 1.0 HB3 B:ALA58 3.3 94.0 1.0 HB3 B:TYR74 3.4 100.3 1.0 H B:HIS75 3.5 95.0 1.0 HB3 B:HIS55 3.5 99.6 1.0 HD1 B:HIS55 3.8 86.7 0.0 HD1 B:HIS75 3.9 112.9 0.0 H B:TYR74 4.0 97.0 1.0 HB2 B:TYR74 4.1 100.3 1.0 CB B:TYR74 4.2 98.4 1.0 CA B:CYS72 4.2 89.0 1.0 H B:ARG56 4.2 117.3 1.0 CB B:ALA58 4.3 98.6 1.0 H B:ALA76 4.3 108.1 1.0 HD11 B:LEU77 4.3 118.4 1.0 HB2 B:LEU77 4.3 98.9 1.0 N B:HIS75 4.4 88.2 1.0 CB B:HIS55 4.4 99.8 1.0 H B:ALA58 4.5 91.1 1.0 H B:LEU77 4.5 107.2 1.0 CA B:CYS53 4.5 98.7 1.0 HB2 B:ALA58 4.5 94.0 1.0 ND1 B:HIS55 4.6 89.6 1.0 C B:CYS72 4.6 99.7 1.0 HD23 B:LEU60 4.6 97.4 1.0 HB1 B:ALA58 4.6 93.9 1.0 HB2 B:HIS55 4.7 99.7 1.0 H B:HIS55 4.7 86.8 1.0 O B:CYS72 4.7 111.0 1.0 ND1 B:HIS75 4.7 111.1 1.0 N B:TYR74 4.7 97.5 1.0 HA B:CYS72 4.7 89.0 1.0 HE2 B:PHE79 4.8 85.9 1.0 H B:CYS72 4.8 83.0 1.0 HB2 B:HIS75 4.9 101.8 1.0 CA B:TYR74 4.9 108.0 1.0 N B:ALA76 5.0 110.5 1.0 HA B:CYS53 5.0 99.7 1.0 HD22 B:LEU60 5.0 97.4 1.0

Iron binding site 5 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:86.7 occ:1.00 FE2 B:FES401 0.0 86.7 1.0 HD1 B:HIS55 1.2 86.7 0.0 HD1 B:HIS75 1.4 112.9 0.0 ND1 B:HIS55 2.1 89.6 1.0 S1 B:FES401 2.2 69.4 1.0 ND1 B:HIS75 2.2 111.1 1.0 S2 B:FES401 2.3 84.2 1.0 HB3 B:TYR74 2.9 100.3 1.0 HB3 B:HIS55 2.9 99.6 1.0 FE1 B:FES401 2.9 75.5 1.0 CE1 B:HIS55 3.0 112.0 1.0 CE1 B:HIS75 3.0 120.2 1.0 H B:HIS75 3.1 95.0 1.0 HB2 B:HIS75 3.1 101.8 1.0 CG B:HIS55 3.1 97.3 1.0 HE1 B:HIS75 3.1 115.5 1.0 HE1 B:HIS55 3.2 108.4 1.0 CG B:HIS75 3.2 99.4 1.0 HG3 B:ARG56 3.4 135.2 1.0 H B:ARG56 3.5 117.3 1.0 CB B:HIS55 3.5 99.8 1.0 HB2 B:ARG56 3.5 132.2 1.0 CB B:HIS75 3.6 102.7 1.0 HG B:CYS53 3.6 91.1 0.0 N B:HIS75 3.7 88.2 1.0 HG B:CYS72 3.8 115.3 0.0 CB B:TYR74 3.8 98.4 1.0 HB2 B:HIS55 4.0 99.7 1.0 NE2 B:HIS55 4.1 122.5 1.0 N B:ARG56 4.1 120.1 1.0 CG B:ARG56 4.2 128.5 1.0 CD2 B:HIS55 4.2 115.1 1.0 NE2 B:HIS75 4.2 111.3 1.0 CA B:HIS75 4.2 102.0 1.0 CG B:TYR74 4.2 97.4 1.0 CB B:ARG56 4.2 139.2 1.0 HD2 B:TYR74 4.3 96.3 1.0 HB2 B:TYR74 4.3 100.3 1.0 CD2 B:HIS75 4.3 108.2 1.0 HD2 B:ARG56 4.3 138.4 1.0 SG B:CYS53 4.4 87.8 1.0 CD2 B:TYR74 4.4 91.5 1.0 HB3 B:HIS75 4.4 101.9 1.0 HD11 B:LEU77 4.6 118.4 1.0 C B:TYR74 4.6 104.1 1.0 SG B:CYS72 4.7 111.4 1.0 CA B:HIS55 4.7 101.8 1.0 CA B:TYR74 4.8 108.0 1.0 HB3 B:ALA58 4.8 94.0 1.0 CD B:ARG56 4.8 148.5 1.0 C B:HIS55 4.8 107.9 1.0 CA B:ARG56 4.8 121.7 1.0 HE2 B:HIS55 4.9 129.9 0.0 HG2 B:ARG56 4.9 135.4 1.0 C B:HIS75 4.9 104.5 1.0 H B:ALA76 4.9 108.1 1.0 HB3 B:CYS72 5.0 93.8 1.0 CD1 B:TYR74 5.0 112.1 1.0 HB3 B:CYS53 5.0 94.2 1.0

Iron binding site 6 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:90.1 occ:1.00 HE2 B:HIS164 1.6 84.4 0.0 HE2 B:HIS169 1.6 91.3 0.0 OD2 B:ASP299 1.6 141.6 1.0 CG B:ASP299 2.2 112.7 1.0 NE2 B:HIS164 2.4 81.5 1.0 OD1 B:ASP299 2.4 102.8 1.0 NE2 B:HIS169 2.5 88.4 1.0 CD2 B:HIS164 3.2 72.9 1.0 OD1 B:ASN158 3.2 78.4 1.0 HD2 B:HIS164 3.3 77.5 1.0 CE1 B:HIS164 3.3 91.6 1.0 CE1 B:HIS169 3.4 97.3 1.0 CD2 B:HIS169 3.5 90.4 1.0 HE1 B:HIS169 3.5 99.2 1.0 HE1 B:HIS164 3.6 88.2 1.0 HD2 B:HIS169 3.6 94.2 1.0 CB B:ASP299 3.7 102.8 1.0 HD1 B:PHE295 3.8 117.8 1.0 HB2 B:ASP299 3.9 102.8 1.0 HD21 B:ASN158 4.1 89.1 1.0 HB3 B:ASP299 4.1 102.8 1.0 CG B:ASN158 4.1 88.8 1.0 ND2 B:ASN158 4.2 89.2 1.0 HE1 B:PHE295 4.3 122.2 1.0 CG B:HIS164 4.3 82.1 1.0 ND1 B:HIS164 4.4 89.2 1.0 HG12 B:ILE165 4.4 80.8 1.0 HG13 B:ILE165 4.5 80.8 1.0 ND1 B:HIS169 4.6 115.5 1.0 HA B:ASP299 4.6 93.1 1.0 CD1 B:PHE295 4.6 112.6 1.0 CG B:HIS169 4.6 107.8 1.0 CA B:ASP299 4.7 93.9 1.0 HD22 B:ASN158 4.8 89.1 1.0 HD12 B:ILE173 4.8 131.5 1.0 HA B:PHE295 4.8 94.7 1.0 CE1 B:PHE295 4.9 125.3 1.0 HG11 B:VAL168 4.9 130.6 1.0 HG12 B:VAL168 4.9 130.6 1.0 HD12 B:ILE303 5.0 90.8 1.0 CG1 B:ILE165 5.0 82.9 1.0

Iron binding site 7 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:66.3 occ:1.00 FE1 C:FES401 0.0 66.3 1.0 HG C:CYS53 0.9 113.9 0.0 HG C:CYS72 1.7 77.0 0.0 SG C:CYS53 1.9 120.1 1.0 S1 C:FES401 2.2 67.5 1.0 S2 C:FES401 2.3 70.6 1.0 HB3 C:CYS53 2.5 93.5 1.0 CB C:CYS53 2.6 88.5 1.0 SG C:CYS72 2.9 75.0 1.0 HB3 C:HIS55 2.9 82.4 1.0 HB2 C:CYS53 2.9 93.7 1.0 FE2 C:FES401 2.9 69.6 1.0 HB3 C:CYS72 3.1 75.3 1.0 CB C:CYS72 3.4 72.7 1.0 HD13 C:LEU77 3.4 113.6 1.0 HB2 C:CYS72 3.4 75.5 1.0 HD1 C:HIS55 3.5 98.6 0.0 HB3 C:ALA58 3.5 83.2 1.0 H C:ARG56 3.6 100.2 1.0 CB C:HIS55 3.8 79.4 1.0 H C:HIS55 4.0 72.2 1.0 HB3 C:TYR74 4.0 98.3 1.0 HD1 C:HIS75 4.0 91.9 0.0 H C:HIS75 4.1 103.9 1.0 CA C:CYS53 4.1 82.6 1.0 HB2 C:HIS55 4.1 82.3 1.0 HB2 C:LEU77 4.1 92.3 1.0 HD11 C:LEU77 4.1 113.5 1.0 ND1 C:HIS55 4.2 96.5 1.0 CD1 C:LEU77 4.2 118.2 1.0 H C:ALA58 4.3 79.0 1.0 C C:CYS53 4.4 80.5 1.0 CB C:ALA58 4.5 83.9 1.0 CG C:HIS55 4.5 93.0 1.0 HA C:CYS53 4.5 82.0 1.0 N C:ARG56 4.5 101.7 1.0 O C:CYS53 4.6 79.9 1.0 HE1 C:PHE79 4.6 81.1 1.0 N C:HIS55 4.6 68.5 1.0 H C:LEU77 4.7 86.6 1.0 CA C:HIS55 4.7 79.0 1.0 HD12 C:LEU77 4.8 113.6 1.0 HD23 C:LEU60 4.8 117.2 1.0 HB2 C:TYR74 4.8 98.4 1.0 HB2 C:ALA58 4.8 83.3 1.0 ND1 C:HIS75 4.8 89.8 1.0 CB C:TYR74 4.8 94.0 1.0 HB2 C:ARG56 4.8 116.3 1.0 CA C:CYS72 4.8 81.8 1.0 H C:CYS53 4.8 76.3 1.0 H C:PHE57 4.8 93.4 1.0 H C:TYR74 4.9 106.1 1.0 H C:ALA76 4.9 110.4 1.0 HD2 C:PRO54 4.9 76.2 1.0 HD22 C:LEU60 4.9 117.5 1.0 HB1 C:ALA58 5.0 83.3 1.0 N C:HIS75 5.0 101.6 1.0 N C:ALA58 5.0 73.7 1.0 CB C:LEU77 5.0 87.9 1.0

Iron binding site 8 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:69.6 occ:1.00 FE2 C:FES401 0.0 69.6 1.0 HD1 C:HIS55 1.1 98.6 0.0 HD1 C:HIS75 1.5 91.9 0.0 ND1 C:HIS55 2.0 96.5 1.0 ND1 C:HIS75 2.2 89.8 1.0 S2 C:FES401 2.2 70.6 1.0 S1 C:FES401 2.3 67.5 1.0 HB2 C:HIS75 2.6 100.4 1.0 CE1 C:HIS55 2.9 107.3 1.0 H C:HIS75 2.9 103.9 1.0 FE1 C:FES401 2.9 66.3 1.0 CG C:HIS75 3.0 94.2 1.0 HB3 C:HIS55 3.0 82.4 1.0 HE1 C:HIS55 3.0 103.0 1.0 CG C:HIS55 3.1 93.0 1.0 CB C:HIS75 3.2 101.0 1.0 CE1 C:HIS75 3.2 101.2 1.0 HB3 C:TYR74 3.2 98.3 1.0 HD11 C:LEU77 3.4 113.5 1.0 HE1 C:HIS75 3.5 98.4 1.0 HD13 C:LEU77 3.5 113.6 1.0 CB C:HIS55 3.5 79.4 1.0 HG C:CYS53 3.6 113.9 0.0 N C:HIS75 3.6 101.6 1.0 CD1 C:LEU77 3.8 118.2 1.0 H C:ARG56 3.9 100.2 1.0 CA C:HIS75 3.9 105.1 1.0 HD12 C:LEU77 3.9 113.6 1.0 HB2 C:HIS55 4.0 82.3 1.0 HB2 C:ARG56 4.0 116.3 1.0 HG C:CYS72 4.0 77.0 0.0 HB3 C:HIS75 4.0 100.5 1.0 NE2 C:HIS55 4.0 102.3 1.0 HG2 C:ARG56 4.1 122.2 1.0 CD2 C:HIS75 4.2 97.0 1.0 CD2 C:HIS55 4.2 102.7 1.0 CB C:TYR74 4.2 94.0 1.0 NE2 C:HIS75 4.2 101.3 1.0 HG3 C:ARG56 4.2 122.4 1.0 SG C:CYS53 4.4 120.1 1.0 N C:ARG56 4.5 101.7 1.0 C C:HIS75 4.5 106.9 1.0 HE1 C:HIS90 4.5 141.9 1.0 CG C:ARG56 4.5 123.0 1.0 C C:TYR74 4.6 108.1 1.0 H C:ALA76 4.6 110.4 1.0 CG C:TYR74 4.6 94.9 1.0 CB C:ARG56 4.7 116.2 1.0 HB2 C:TYR74 4.7 98.4 1.0 H C:LEU77 4.7 86.6 1.0 HA C:HIS75 4.7 104.0 1.0 SG C:CYS72 4.7 75.0 1.0 HE2 C:HIS55 4.8 108.4 0.0 HB3 C:CYS72 4.9 75.3 1.0 CA C:HIS55 4.9 79.0 1.0 HD2 C:TYR74 4.9 91.3 1.0 N C:ALA76 4.9 112.8 1.0 CA C:TYR74 4.9 112.7 1.0 CD2 C:TYR74 5.0 92.9 1.0 HD2 C:HIS75 5.0 97.3 1.0

Iron binding site 9 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:113.7 occ:1.00 HE2 C:HIS164 1.4 94.3 0.0 HE2 C:HIS169 1.4 126.9 0.0 OD2 C:ASP299 1.9 91.9 1.0 NE2 C:HIS164 2.3 93.0 1.0 NE2 C:HIS169 2.3 119.8 1.0 CG C:ASP299 2.6 94.3 1.0 OD1 C:ASP299 2.7 128.8 1.0 CD2 C:HIS164 3.2 86.9 1.0 CD2 C:HIS169 3.2 109.5 1.0 CE1 C:HIS164 3.3 94.0 1.0 HD2 C:HIS164 3.3 90.6 1.0 HD2 C:HIS169 3.3 112.7 1.0 CE1 C:HIS169 3.4 108.8 1.0 HE1 C:HIS164 3.5 94.3 1.0 HE1 C:HIS169 3.6 112.0 1.0 OD1 C:ASN158 3.6 101.9 1.0 HD1 C:PHE295 3.8 119.7 1.0 HG12 C:ILE165 4.0 81.3 1.0 CB C:ASP299 4.1 91.7 1.0 HE1 C:PHE295 4.2 129.6 1.0 HG13 C:ILE165 4.2 81.4 1.0 HB2 C:ASP299 4.3 95.6 1.0 CG C:HIS164 4.4 96.2 1.0 ND1 C:HIS164 4.4 96.5 1.0 CG C:HIS169 4.4 113.2 1.0 HD21 C:ASN158 4.4 85.2 1.0 ND1 C:HIS169 4.4 111.2 1.0 CG C:ASN158 4.4 99.7 1.0 HD12 C:ILE173 4.5 109.4 1.0 HB3 C:ASP299 4.5 95.5 1.0 ND2 C:ASN158 4.5 79.3 1.0 CG1 C:ILE165 4.6 75.5 1.0 CD1 C:PHE295 4.6 115.2 1.0 CE1 C:PHE295 4.8 133.9 1.0 HA C:PHE295 4.9 106.4 1.0 HD22 C:ASN158 4.9 85.3 1.0 HG11 C:VAL168 4.9 113.9 1.0 HA C:ASP299 5.0 102.8 1.0 HD12 C:ILE165 5.0 79.8 1.0

Iron binding site 10 out of 27 in the Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Rieske Non-Heme Iron Monooxygenase For Guaiacol O-Demethylation within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:137.8 occ:1.00 FE1 D:FES401 0.0 137.8 1.0 HG D:CYS53 0.2 146.2 0.0 HG D:CYS72 0.9 232.4 0.0 S1 D:FES401 2.2 116.0 1.0 S2 D:FES401 2.2 128.8 1.0 SG D:CYS72 2.3 118.2 1.0 SG D:CYS53 2.4 136.0 1.0 HB3 D:CYS53 2.6 145.8 1.0 HB3 D:CYS72 2.8 142.0 1.0 CB D:CYS53 2.8 154.8 1.0 HB2 D:CYS53 2.9 145.8 1.0 FE2 D:FES401 2.9 107.6 1.0 CB D:CYS72 2.9 144.7 1.0 HB2 D:CYS72 3.1 142.0 1.0 HB3 D:ALA58 3.2 155.9 1.0 HB3 D:TYR74 3.4 121.6 1.0 HB3 D:HIS55 3.6 131.2 1.0 H D:HIS75 3.7 115.8 1.0 HD1 D:HIS55 3.8 111.1 0.0 HD1 D:HIS75 3.9 139.1 0.0 H D:ARG56 4.0 134.4 1.0 HB2 D:TYR74 4.1 121.7 1.0 CB D:ALA58 4.1 157.6 1.0 H D:ALA58 4.1 130.8 1.0 H D:TYR74 4.1 142.0 1.0 HB2 D:ALA58 4.2 155.9 1.0 CB D:TYR74 4.2 118.9 1.0 CA D:CYS53 4.3 136.9 1.0 CA D:CYS72 4.4 163.3 1.0 HB2 D:LEU77 4.4 153.5 1.0 HD11 D:LEU77 4.4 141.7 1.0 HD23 D:LEU60 4.5 141.0 1.0 CB D:HIS55 4.5 137.8 1.0 H D:ALA76 4.6 154.8 1.0 N D:HIS75 4.6 116.6 1.0 H D:HIS55 4.6 130.1 1.0 HB1 D:ALA58 4.6 156.0 1.0 ND1 D:HIS55 4.7 115.8 1.0 H D:LEU77 4.7 161.2 1.0 ND1 D:HIS75 4.7 137.3 1.0 C D:CYS72 4.7 176.4 1.0 HA D:CYS53 4.8 134.3 1.0 HE2 D:PHE79 4.8 162.7 1.0 C D:CYS53 4.8 120.1 1.0 H D:CYS53 4.8 126.3 1.0 HB2 D:HIS55 4.8 131.3 1.0 N D:ALA58 4.8 123.3 1.0 HA D:CYS72 4.9 161.9 1.0 N D:TYR74 4.9 152.2 1.0 HD2 D:TYR74 4.9 132.6 1.0 HD22 D:LEU60 4.9 141.1 1.0 O D:CYS53 4.9 129.1 1.0 O D:CYS72 4.9 142.3 1.0 HB2 D:ARG56 4.9 129.4 1.0 O D:ALA58 4.9 137.7 1.0 N D:ARG56 5.0 135.7 1.0 CA D:ALA58 5.0 152.6 1.0

A.Bleem, E.Kuatsjah, G.N.Presley, D.J.Hinchen, M.Zahn, D.C.Garcia, W.E.Michener, G.Konig, K.Tornesakis, M.N.Allemann, R.J.Giannone, J.E.Mcgeehan, G.T.Beckham, J.K.Michener. Discovery, Characterization, and Metabolic Engineering of Rieske Non-Heme Iron Monooxygenases For Guaiacol O-Demethylation Chem Catal 2022.
DOI: 10.1016/J.CHECAT.2022.04.019