Iron in PDB 6llm: Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase

The structure of Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase, PDB code: 6llm was solved by 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)	46.33 / 1.90
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	130.925, 130.925, 130.925, 90, 90, 90
R / Rfree (%)	17.1 / 20.1

The binding sites of Iron atom in the Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase (pdb code 6llm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase, PDB code: 6llm:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of 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 Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.5 occ:1.00 O A:HOH629 1.8 29.4 1.0 OD1 A:ASP333 2.0 19.3 1.0 NE2 A:HIS187 2.1 19.2 1.0 NE2 A:HIS183 2.1 18.2 1.0 CG A:ASP333 2.7 18.0 1.0 OD2 A:ASP333 2.7 19.4 1.0 CD2 A:HIS183 2.9 19.1 1.0 CD2 A:HIS187 3.0 18.5 1.0 CE1 A:HIS187 3.1 18.9 1.0 CE1 A:HIS183 3.2 19.2 1.0 OK2 A:BPY503 4.0 27.9 1.0 CK3 A:BPY503 4.1 42.3 1.0 CG A:HIS183 4.1 16.6 1.0 CB A:ASP333 4.2 17.2 1.0 ND2 A:ASN177 4.2 17.4 1.0 CG A:HIS187 4.2 18.2 1.0 ND1 A:HIS183 4.2 18.1 1.0 ND1 A:HIS187 4.2 18.0 1.0 OK1 A:BPY503 4.4 45.1 1.0 O A:HOH660 4.4 26.9 1.0 CK4 A:BPY503 4.4 43.6 1.0 CE2 A:PHE329 4.5 19.1 1.0 ND2 A:ASN330 4.6 18.4 1.0 CD1 A:ILE186 4.7 18.2 1.0 CK2 A:BPY503 4.8 35.0 1.0 O A:ASN177 4.9 18.2 1.0 CA A:ASP333 4.9 15.5 1.0

Iron binding site 2 out of 3 in the Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of 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 Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:13.4 occ:1.00 FE1 A:FES502 0.0 13.4 1.0 S1 A:FES502 2.2 13.4 1.0 S2 A:FES502 2.2 12.8 1.0 SG A:CYS90 2.3 13.4 1.0 SG A:CYS69 2.3 13.0 1.0 FE2 A:FES502 2.7 13.2 1.0 CB A:CYS90 3.1 13.9 1.0 CB A:CYS69 3.2 14.1 1.0 CB A:HIS71 4.1 12.4 1.0 CB A:TYR92 4.2 12.3 1.0 CG2 A:VAL74 4.2 13.8 1.0 ND1 A:HIS71 4.4 12.5 1.0 ND1 A:HIS93 4.4 13.8 1.0 N A:HIS93 4.5 14.2 1.0 CA A:CYS90 4.6 13.1 1.0 CA A:CYS69 4.6 13.6 1.0 CB A:TRP95 4.7 11.8 1.0 CG A:HIS71 4.8 13.2 1.0 N A:TYR92 4.8 11.6 1.0 CD2 A:LEU76 4.9 13.7 0.5 CG A:TRP95 4.9 10.7 1.0 N A:ARG72 4.9 12.5 1.0 CA A:TYR92 5.0 12.7 1.0

Iron binding site 3 out of 3 in the Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of 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 Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:13.2 occ:1.00 FE2 A:FES502 0.0 13.2 1.0 ND1 A:HIS71 2.0 12.5 1.0 ND1 A:HIS93 2.0 13.8 1.0 S1 A:FES502 2.2 13.4 1.0 S2 A:FES502 2.3 12.8 1.0 FE1 A:FES502 2.7 13.4 1.0 CE1 A:HIS93 3.0 14.2 1.0 CG A:HIS71 3.0 13.2 1.0 CE1 A:HIS71 3.0 12.3 1.0 CG A:HIS93 3.1 14.4 1.0 CB A:HIS71 3.3 12.4 1.0 CB A:HIS93 3.4 13.5 1.0 N A:HIS93 3.7 14.2 1.0 CB A:TYR92 4.1 12.3 1.0 NE2 A:HIS93 4.1 14.5 1.0 NE2 A:HIS71 4.1 12.3 1.0 CD2 A:HIS93 4.1 16.5 1.0 CD2 A:HIS71 4.2 13.8 1.0 CA A:HIS93 4.2 13.2 1.0 SG A:CYS69 4.4 13.0 1.0 CG A:ARG72 4.4 15.1 1.0 N A:ARG72 4.4 12.5 1.0 CD2 A:TYR92 4.5 15.0 1.0 CG A:TYR92 4.5 13.2 1.0 SG A:CYS90 4.6 13.4 1.0 CD1 A:TRP95 4.6 11.7 1.0 C A:TYR92 4.6 13.2 1.0 NE1 A:TRP95 4.6 11.9 1.0 CA A:HIS71 4.7 11.8 1.0 CB A:ARG72 4.7 13.8 1.0 CA A:TYR92 4.9 12.7 1.0 C A:HIS93 4.9 13.4 1.0 CG A:TRP95 5.0 10.7 1.0 C A:HIS71 5.0 11.9 1.0

Y.X.Wang, C.Suzuki-Minakuchi, H.Nojiri. Biphenyl-2,3-Diol-Soaked Terminal Oxygenase of Carbazole 1,9A-Dioxygenase To Be Published.