Iron in PDB 1ww9: Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin

The structure of Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin, PDB code: 1ww9 was solved by H.Nojiri, Y.Ashikawa, H.Noguchi, J.-W.Nam, M.Urata, Z.Fujimoto, H.Mizuno, T.Yoshida, H.Habe, T.Omori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.94 / 1.95
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	131.914, 131.914, 131.914, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 20.5

The binding sites of Iron atom in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin (pdb code 1ww9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin, PDB code: 1ww9:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:27.5 occ:1.00 O A:HOH631 1.9 31.6 1.0 OD1 A:ASP333 2.0 25.3 1.0 NE2 A:HIS187 2.0 26.0 1.0 NE2 A:HIS183 2.1 27.4 1.0 CG A:ASP333 2.6 27.4 1.0 OD2 A:ASP333 2.6 26.7 1.0 CE1 A:HIS187 2.9 27.2 1.0 CD2 A:HIS183 2.9 26.1 1.0 CD2 A:HIS187 3.1 24.0 1.0 CE1 A:HIS183 3.2 26.6 1.0 O A:HOH747 3.9 55.0 1.0 CB A:ASP333 4.1 24.9 1.0 ND1 A:HIS187 4.1 27.6 1.0 O A:HOH633 4.1 35.3 1.0 CG A:HIS183 4.1 25.3 1.0 ND2 A:ASN177 4.2 24.7 1.0 CG A:HIS187 4.2 24.4 1.0 ND1 A:HIS183 4.2 23.9 1.0 O A:HOH521 4.4 26.2 1.0 CE2 A:PHE329 4.5 27.9 1.0 CD1 A:ILE186 4.5 24.1 1.0 ND2 A:ASN330 4.5 27.1 1.0 O A:HOH644 4.8 47.6 1.0 CA A:ASP333 4.8 24.2 1.0 O A:ASN177 4.9 26.9 1.0 CG1 A:ILE186 4.9 21.9 1.0

Iron binding site 2 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.5 occ:1.00 FE1 A:FES401 0.0 21.5 1.0 S2 A:FES401 2.2 21.2 1.0 S1 A:FES401 2.3 21.0 1.0 SG A:CYS90 2.3 20.7 1.0 SG A:CYS69 2.3 23.6 1.0 FE2 A:FES401 2.7 22.5 1.0 CB A:CYS90 3.1 21.9 1.0 CB A:CYS69 3.2 21.8 1.0 CB A:HIS71 4.0 22.9 1.0 CB A:TYR92 4.1 21.1 1.0 CG2 A:VAL74 4.2 22.0 1.0 N A:HIS93 4.4 21.1 1.0 ND1 A:HIS93 4.5 20.1 1.0 ND1 A:HIS71 4.5 20.4 1.0 CA A:CYS90 4.6 21.9 1.0 CA A:CYS69 4.6 22.6 1.0 CB A:TRP95 4.8 17.5 1.0 CG A:HIS71 4.8 21.4 1.0 N A:TYR92 4.8 21.1 1.0 N A:ARG72 4.9 19.6 1.0 CA A:TYR92 4.9 20.1 1.0 CG A:TRP95 4.9 18.1 1.0

Iron binding site 3 out of 3 in the Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Terminal Oxygenase Component of Carbazole 1, 9A-Dioxygenase, A Non-Heme Iron Oxygenase System Catalyzing the Novel Angular Dioxygenation For Carbazole and Dioxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.5 occ:1.00 FE2 A:FES401 0.0 22.5 1.0 ND1 A:HIS93 2.1 20.1 1.0 ND1 A:HIS71 2.1 20.4 1.0 S1 A:FES401 2.3 21.0 1.0 S2 A:FES401 2.3 21.2 1.0 FE1 A:FES401 2.7 21.5 1.0 CG A:HIS71 3.0 21.4 1.0 CE1 A:HIS93 3.1 22.2 1.0 CG A:HIS93 3.1 21.5 1.0 CE1 A:HIS71 3.2 23.1 1.0 CB A:HIS71 3.2 22.9 1.0 CB A:HIS93 3.4 22.0 1.0 N A:HIS93 3.7 21.1 1.0 CB A:TYR92 3.9 21.1 1.0 CA A:HIS93 4.1 22.7 1.0 NE2 A:HIS93 4.1 20.9 1.0 CD2 A:HIS93 4.2 22.3 1.0 CD2 A:HIS71 4.2 20.0 1.0 NE2 A:HIS71 4.3 21.1 1.0 SG A:CYS69 4.3 23.6 1.0 CG A:TYR92 4.3 23.1 1.0 CG A:ARG72 4.4 23.0 1.0 N A:ARG72 4.4 19.6 1.0 CD2 A:TYR92 4.4 22.0 1.0 CD1 A:TRP95 4.5 18.4 1.0 C A:TYR92 4.5 22.9 1.0 SG A:CYS90 4.6 20.7 1.0 NE1 A:TRP95 4.6 19.8 1.0 CA A:HIS71 4.6 21.6 1.0 CB A:ARG72 4.8 20.9 1.0 CA A:TYR92 4.8 20.1 1.0 C A:HIS93 4.9 22.2 1.0 C A:HIS71 4.9 22.9 1.0 CG A:TRP95 4.9 18.1 1.0

H.Nojiri, Y.Ashikawa, H.Noguchi, J.-W.Nam, M.Urata, Z.Fujimoto, H.Uchimura, T.Terada, S.Nakamura, K.Shimizu, T.Yoshida, H.Habe, T.Omori. Structure of the Terminal Oxygenase Component of Angular Dioxygenase, Carbazole 1,9A-Dioxygenase J.Mol.Biol. V. 351 355 2005.
ISSN: ISSN 0022-2836
PubMed: 16005887
DOI: 10.1016/J.JMB.2005.05.059