Iron in PDB 6llk: Biphenyl-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase

The structure of Biphenyl-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase, PDB code: 6llk 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)	29.39 / 2.30
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	131.361, 131.361, 131.361, 90, 90, 90
R / Rfree (%)	16 / 20.4

The binding sites of Iron atom in the Biphenyl-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase (pdb code 6llk). 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-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase, PDB code: 6llk:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Biphenyl-2,2',3-Triol-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-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:20.4 occ:1.00 FE1 A:FES401 0.0 20.4 1.0 S2 A:FES401 2.2 21.9 1.0 S1 A:FES401 2.2 21.8 1.0 SG A:CYS90 2.3 21.4 1.0 SG A:CYS69 2.3 20.2 1.0 FE2 A:FES401 2.7 21.6 1.0 CB A:CYS69 3.1 21.6 1.0 CB A:CYS90 3.1 22.2 1.0 CB A:HIS71 4.1 19.7 1.0 CB A:TYR92 4.3 24.0 1.0 CG2 A:VAL74 4.3 20.2 1.0 ND1 A:HIS93 4.4 17.9 1.0 N A:HIS93 4.5 20.1 1.0 ND1 A:HIS71 4.5 16.2 1.0 CA A:CYS69 4.6 20.2 1.0 CA A:CYS90 4.6 22.6 1.0 CB A:TRP95 4.8 20.2 1.0 CG A:HIS71 4.8 17.8 1.0 N A:ARG72 4.8 20.1 1.0 CD2 A:LEU76 4.8 31.6 1.0 N A:TYR92 4.9 22.4 1.0 CG A:TRP95 4.9 20.8 1.0

Iron binding site 2 out of 3 in the Biphenyl-2,2',3-Triol-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-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.6 occ:1.00 FE2 A:FES401 0.0 21.6 1.0 ND1 A:HIS93 2.0 17.9 1.0 ND1 A:HIS71 2.1 16.2 1.0 S1 A:FES401 2.2 21.8 1.0 S2 A:FES401 2.3 21.9 1.0 FE1 A:FES401 2.7 20.4 1.0 CE1 A:HIS93 2.9 19.4 1.0 CG A:HIS71 3.0 17.8 1.0 CG A:HIS93 3.1 20.4 1.0 CE1 A:HIS71 3.1 17.2 1.0 CB A:HIS71 3.3 19.7 1.0 CB A:HIS93 3.5 20.2 1.0 N A:HIS93 3.7 20.1 1.0 NE2 A:HIS93 4.1 18.8 1.0 CD2 A:HIS93 4.1 18.5 1.0 CB A:TYR92 4.2 24.0 1.0 CA A:HIS93 4.2 19.2 1.0 CD2 A:HIS71 4.2 18.5 1.0 NE2 A:HIS71 4.2 17.4 1.0 N A:ARG72 4.3 20.1 1.0 SG A:CYS69 4.3 20.2 1.0 CG A:ARG72 4.4 22.1 1.0 CG A:TYR92 4.5 24.3 1.0 CD2 A:TYR92 4.5 24.9 1.0 SG A:CYS90 4.6 21.4 1.0 CD1 A:TRP95 4.6 20.3 1.0 C A:TYR92 4.6 21.7 1.0 CA A:HIS71 4.6 20.5 1.0 NE1 A:TRP95 4.7 20.9 1.0 CB A:ARG72 4.8 21.0 1.0 C A:HIS71 4.9 21.0 1.0 CG A:TRP95 4.9 20.8 1.0 C A:HIS93 4.9 20.0 1.0 CA A:TYR92 5.0 22.6 1.0 CE2 A:TRP95 5.0 19.4 1.0

Iron binding site 3 out of 3 in the Biphenyl-2,2',3-Triol-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-2,2',3-Triol-Soaked Terminal Oxygenase of Carbazole 1,9A- Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:27.6 occ:1.00 OA2 A:WBP403 2.0 53.5 1.0 NE2 A:HIS183 2.1 27.0 1.0 OD1 A:ASP333 2.1 27.4 1.0 NE2 A:HIS187 2.1 22.4 1.0 OA3 A:WBP403 2.6 66.4 1.0 CG A:ASP333 2.8 29.6 1.0 OD2 A:ASP333 2.9 30.5 1.0 CA2 A:WBP403 3.0 57.9 1.0 CD2 A:HIS187 3.0 25.4 1.0 CE1 A:HIS183 3.0 24.8 1.0 CD2 A:HIS183 3.1 24.3 1.0 CE1 A:HIS187 3.1 28.1 1.0 CA3 A:WBP403 3.3 56.4 1.0 ND1 A:HIS183 4.1 26.2 1.0 CG A:HIS183 4.2 24.7 1.0 ND2 A:ASN177 4.2 22.9 1.0 CG A:HIS187 4.2 27.4 1.0 ND1 A:HIS187 4.2 26.9 1.0 CB A:ASP333 4.3 26.7 1.0 CA1 A:WBP403 4.3 48.1 1.0 CE2 A:PHE329 4.5 29.1 1.0 O A:HOH600 4.6 30.7 1.0 OB2 A:WBP403 4.6 62.0 1.0 CA4 A:WBP403 4.7 44.8 1.0 ND2 A:ASN330 4.7 23.2 1.0 CD1 A:ILE186 4.7 24.6 1.0 CB1 A:WBP403 4.8 55.0 1.0 CB2 A:WBP403 4.9 63.7 1.0 O A:ASN177 4.9 28.6 1.0 CA A:ASP333 5.0 25.5 1.0

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