Iron in PDB 7bui: Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase

The structure of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase, PDB code: 7bui was solved by J.Matsuzawa, Y.X.Wang, C.Suzuki-Minakuchi, H.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.17 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.29, 81.56, 116.13, 90, 100.12, 90
R / Rfree (%)	18.7 / 23.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iron atom in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase (pdb code 7bui). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 13 binding sites of Iron where determined in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase, PDB code: 7bui:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:45.7 occ:1.00 FE1 A:FES401 0.0 45.7 1.0 SG A:CYS69 2.0 43.6 1.0 SG A:CYS90 2.2 49.0 1.0 S2 A:FES401 2.2 49.5 1.0 S1 A:FES401 2.2 55.2 1.0 FE2 A:FES401 2.9 50.5 1.0 CB A:CYS69 2.9 53.1 1.0 CB A:CYS90 3.0 57.9 1.0 CG2 A:VAL74 4.1 46.7 1.0 CB A:HIS71 4.2 43.2 1.0 CB A:TYR92 4.3 42.6 1.0 CA A:CYS69 4.3 49.7 1.0 ND1 A:HIS93 4.4 39.4 1.0 CA A:CYS90 4.5 51.9 1.0 ND1 A:HIS71 4.5 41.4 1.0 N A:HIS93 4.6 47.4 1.0 CG A:HIS71 4.9 41.5 1.0 CB A:TRP95 4.9 44.5 1.0 C A:CYS90 4.9 51.9 1.0 C A:CYS69 5.0 49.3 1.0 N A:TYR92 5.0 39.2 1.0

Iron binding site 2 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:50.5 occ:1.00 FE2 A:FES401 0.0 50.5 1.0 ND1 A:HIS93 1.9 39.4 1.0 ND1 A:HIS71 2.0 41.4 1.0 S1 A:FES401 2.2 55.2 1.0 S2 A:FES401 2.2 49.5 1.0 CE1 A:HIS93 2.8 47.9 1.0 FE1 A:FES401 2.9 45.7 1.0 CE1 A:HIS71 2.9 42.4 1.0 CG A:HIS93 3.0 54.9 1.0 CG A:HIS71 3.0 41.5 1.0 CB A:HIS71 3.4 43.2 1.0 CB A:HIS93 3.5 50.9 1.0 N A:HIS93 3.8 47.4 1.0 NE2 A:HIS93 3.9 45.6 1.0 CD2 A:HIS93 4.1 49.0 1.0 NE2 A:HIS71 4.1 40.0 1.0 CG A:ARG72 4.1 53.4 1.0 SG A:CYS69 4.1 43.6 1.0 CD2 A:HIS71 4.1 41.5 1.0 CB A:TYR92 4.2 42.6 1.0 CA A:HIS93 4.2 54.9 1.0 CD2 A:TYR92 4.5 46.9 1.0 N A:ARG72 4.5 50.2 1.0 CG A:TYR92 4.5 42.6 1.0 SG A:CYS90 4.5 49.0 1.0 C A:TYR92 4.7 47.3 1.0 CB A:ARG72 4.7 52.5 1.0 CA A:HIS71 4.8 44.9 1.0 CD1 A:TRP95 4.8 39.7 1.0 NE1 A:TRP95 4.8 38.9 1.0 C A:HIS93 5.0 56.6 1.0

Iron binding site 3 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:52.3 occ:1.00 OD1 A:ASP333 2.0 44.1 1.0 NE2 A:HIS183 2.0 39.3 1.0 NE2 A:HIS187 2.2 41.2 1.0 O A:HOH590 2.3 53.0 1.0 OD2 A:ASP333 2.6 50.3 1.0 CG A:ASP333 2.6 42.4 1.0 CD2 A:HIS183 3.0 41.8 1.0 CE1 A:HIS183 3.1 40.6 1.0 CD2 A:HIS187 3.1 41.2 1.0 CE1 A:HIS187 3.2 41.1 1.0 O A:HOH596 3.8 58.7 1.0 CB A:ASP333 4.1 41.1 1.0 O A:HOH538 4.1 43.9 1.0 CG A:HIS183 4.1 39.3 1.0 ND1 A:HIS183 4.2 42.1 1.0 ND2 A:ASN177 4.2 40.5 1.0 ND1 A:HIS187 4.3 38.2 1.0 CG A:HIS187 4.3 41.3 1.0 CE2 A:PHE329 4.4 40.8 1.0 ND2 A:ASN330 4.6 39.0 1.0 CD1 A:ILE186 4.6 41.6 1.0 O A:HOH604 4.9 64.8 1.0 O A:ASN177 4.9 45.4 1.0 CA A:ASP333 4.9 40.8 1.0

Iron binding site 4 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.3 occ:1.00 FE1 B:FES401 0.0 33.3 1.0 S2 B:FES401 2.2 32.9 1.0 S1 B:FES401 2.2 35.1 1.0 SG B:CYS90 2.2 32.1 1.0 SG B:CYS69 2.4 32.5 1.0 FE2 B:FES401 2.8 36.2 1.0 CB B:CYS90 3.1 34.2 1.0 CB B:CYS69 3.1 26.2 1.0 CB B:TYR92 4.0 35.3 1.0 CG2 B:VAL74 4.2 28.2 1.0 CB B:HIS71 4.3 38.1 1.0 CA B:CYS90 4.5 34.3 1.0 ND1 B:HIS93 4.5 33.7 1.0 N B:HIS93 4.5 35.2 1.0 ND1 B:HIS71 4.5 34.2 1.0 CA B:CYS69 4.6 25.3 1.0 N B:TYR92 4.8 39.9 1.0 CB B:TRP95 4.8 37.9 1.0 CA B:TYR92 4.9 37.9 1.0 C B:CYS90 4.9 33.7 1.0 CG B:HIS71 5.0 38.4 1.0 CG B:TRP95 5.0 35.8 1.0

Iron binding site 5 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:36.2 occ:1.00 FE2 B:FES401 0.0 36.2 1.0 ND1 B:HIS93 2.1 33.7 1.0 ND1 B:HIS71 2.1 34.2 1.0 S1 B:FES401 2.2 35.1 1.0 S2 B:FES401 2.3 32.9 1.0 FE1 B:FES401 2.8 33.3 1.0 CE1 B:HIS93 3.0 36.1 1.0 CG B:HIS93 3.0 32.5 1.0 CE1 B:HIS71 3.1 42.0 1.0 CG B:HIS71 3.1 38.4 1.0 CB B:HIS93 3.4 34.4 1.0 CB B:HIS71 3.4 38.1 1.0 N B:HIS93 3.8 35.2 1.0 CB B:TYR92 4.0 35.3 1.0 NE2 B:HIS93 4.1 35.7 1.0 CD2 B:HIS93 4.1 37.5 1.0 CA B:HIS93 4.2 33.1 1.0 NE2 B:HIS71 4.2 37.1 1.0 CG B:TYR92 4.3 35.0 1.0 CD2 B:HIS71 4.3 36.1 1.0 CD2 B:TYR92 4.3 35.9 1.0 CG B:ARG72 4.4 32.9 1.0 SG B:CYS69 4.4 32.5 1.0 N B:ARG72 4.4 35.2 1.0 SG B:CYS90 4.6 32.1 1.0 CD1 B:TRP95 4.6 36.9 1.0 C B:TYR92 4.7 40.5 1.0 NE1 B:TRP95 4.7 35.5 1.0 CA B:HIS71 4.7 34.8 1.0 CB B:ARG72 4.9 36.2 1.0 C B:HIS93 4.9 30.9 1.0 CA B:TYR92 4.9 37.9 1.0 C B:HIS71 5.0 35.7 1.0

Iron binding site 6 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:43.8 occ:1.00 NE2 B:HIS183 2.0 33.7 1.0 OD1 B:ASP333 2.1 37.9 1.0 NE2 B:HIS187 2.2 34.7 1.0 O B:HOH679 2.2 50.8 1.0 CG B:ASP333 2.7 33.9 1.0 OD2 B:ASP333 2.7 30.6 1.0 CD2 B:HIS183 2.9 33.7 1.0 CE1 B:HIS183 3.1 33.2 1.0 CE1 B:HIS187 3.1 33.7 1.0 CD2 B:HIS187 3.2 30.7 1.0 CG B:HIS183 4.1 30.9 1.0 CB B:ASP333 4.1 33.9 1.0 ND2 B:ASN177 4.2 30.6 1.0 ND1 B:HIS183 4.2 32.5 1.0 ND1 B:HIS187 4.2 35.0 1.0 CG B:HIS187 4.3 35.6 1.0 O B:HOH540 4.5 39.7 1.0 CE2 B:PHE329 4.5 35.1 1.0 ND2 B:ASN330 4.6 30.2 1.0 O B:HOH714 4.7 60.4 1.0 CD1 B:ILE186 4.7 36.5 1.0 CA B:ASP333 4.9 32.6 1.0 CG1 B:ILE186 5.0 35.7 1.0 O B:ASN177 5.0 33.6 1.0

Iron binding site 7 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:32.0 occ:1.00 FE1 C:FES401 0.0 32.0 1.0 S2 C:FES401 2.2 29.6 1.0 SG C:CYS90 2.2 31.2 1.0 SG C:CYS69 2.2 31.6 1.0 S1 C:FES401 2.2 33.9 1.0 FE2 C:FES401 2.8 30.7 1.0 CB C:CYS90 3.0 33.2 1.0 CB C:CYS69 3.1 33.0 1.0 CB C:HIS71 4.1 28.6 1.0 CG2 C:VAL74 4.1 30.1 1.0 CB C:TYR92 4.2 33.0 1.0 ND1 C:HIS93 4.4 27.4 1.0 CA C:CYS90 4.5 32.6 1.0 N C:HIS93 4.5 29.2 1.0 CA C:CYS69 4.5 32.0 1.0 ND1 C:HIS71 4.5 25.8 1.0 CB C:TRP95 4.8 30.6 1.0 N C:TYR92 4.8 31.2 1.0 CG C:HIS71 4.8 29.8 1.0 CG C:TRP95 4.9 29.2 1.0 CA C:TYR92 4.9 32.4 1.0 N C:ARG72 5.0 34.9 1.0

Iron binding site 8 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:30.7 occ:1.00 FE2 C:FES401 0.0 30.7 1.0 ND1 C:HIS93 2.0 27.4 1.0 ND1 C:HIS71 2.1 25.8 1.0 S1 C:FES401 2.2 33.9 1.0 S2 C:FES401 2.3 29.6 1.0 FE1 C:FES401 2.8 32.0 1.0 CE1 C:HIS93 2.9 30.4 1.0 CG C:HIS71 3.0 29.8 1.0 CG C:HIS93 3.1 30.4 1.0 CE1 C:HIS71 3.1 27.6 1.0 CB C:HIS71 3.2 28.6 1.0 CB C:HIS93 3.5 30.6 1.0 N C:HIS93 3.7 29.2 1.0 NE2 C:HIS93 4.0 29.8 1.0 CB C:TYR92 4.0 33.0 1.0 CD2 C:HIS93 4.2 26.4 1.0 CD2 C:HIS71 4.2 27.2 1.0 CA C:HIS93 4.2 31.9 1.0 NE2 C:HIS71 4.2 26.1 1.0 SG C:CYS69 4.3 31.6 1.0 CG C:ARG72 4.3 33.0 1.0 N C:ARG72 4.4 34.9 1.0 CG C:TYR92 4.4 32.9 1.0 CD2 C:TYR92 4.5 33.7 1.0 SG C:CYS90 4.5 31.2 1.0 C C:TYR92 4.6 32.6 1.0 CA C:HIS71 4.6 31.4 1.0 CD1 C:TRP95 4.7 31.9 1.0 NE1 C:TRP95 4.7 28.9 1.0 CB C:ARG72 4.8 31.4 1.0 CA C:TYR92 4.8 32.4 1.0 C C:HIS71 4.9 32.9 1.0 C C:HIS93 4.9 31.5 1.0

Iron binding site 9 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:52.1 occ:1.00 NE2 C:HIS183 2.0 43.8 1.0 O C:HOH610 2.0 47.2 1.0 NE2 C:HIS187 2.0 55.1 1.0 OD1 C:ASP333 2.1 54.0 1.0 OD2 C:ASP333 2.7 42.2 1.0 CG C:ASP333 2.7 44.5 1.0 CE1 C:HIS183 2.9 41.0 1.0 CE1 C:HIS187 3.0 55.6 1.0 CD2 C:HIS183 3.0 43.6 1.0 CD2 C:HIS187 3.1 57.0 1.0 ND1 C:HIS183 4.0 41.6 1.0 ND2 C:ASN177 4.1 50.0 1.0 CG C:HIS183 4.1 41.2 1.0 ND1 C:HIS187 4.1 47.9 1.0 CB C:ASP333 4.1 42.2 1.0 CG C:HIS187 4.2 58.5 1.0 CE2 C:PHE329 4.4 68.3 1.0 ND2 C:ASN330 4.5 40.4 1.0 CD1 C:ILE186 4.6 53.8 1.0 O C:ASN177 4.7 65.9 1.0 CA C:ASP333 4.9 42.7 1.0

Iron binding site 10 out of 13 in the Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1, 9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:47.2 occ:1.00 FE1 D:FES201 0.0 47.2 1.0 SG D:CYS46 2.2 47.8 1.0 S1 D:FES201 2.2 46.8 1.0 S2 D:FES201 2.3 48.3 1.0 SG D:CYS65 2.3 53.0 1.0 FE2 D:FES201 2.9 45.4 1.0 CB D:CYS46 3.0 52.7 1.0 CB D:CYS65 3.1 59.8 1.0 CB D:ALA51 4.0 54.3 1.0 CB D:HIS48 4.1 49.1 1.0 CA D:CYS46 4.4 52.7 1.0 CB D:PHE67 4.4 54.2 1.0 ND1 D:HIS48 4.5 42.1 1.0 SG D:CYS84 4.5 57.3 1.0 CA D:CYS65 4.6 59.3 1.0 N D:GLY49 4.6 49.1 1.0 ND1 D:HIS68 4.7 45.0 1.0 CG D:HIS48 4.8 48.1 1.0 CA D:HIS48 4.8 50.1 1.0 N D:HIS48 4.9 46.6 1.0 C D:HIS48 4.9 53.3 1.0 N D:HIS68 5.0 50.7 1.0

J.Matsuzawa, Y.X.Wang, C.Suzuki-Minakuchi, H.Nojiri. Complex of Reduced Oxygenase and Oxidized Ferredoxin in Carbazole 1,9A- Dioxygenase To Be Published.