Iron in PDB 3n0q: Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution

The structure of Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution, PDB code: 3n0q was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.16 / 1.80
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	97.533, 97.533, 96.522, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 18.6

The structure of Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution (pdb code 3n0q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution, PDB code: 3n0q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution


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 A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe410 b:21.7 occ:1.00 FE1 A:FES410 0.0 21.7 1.0 S2 A:FES410 2.2 22.5 1.0 S1 A:FES410 2.2 23.1 1.0 SG A:CYS103 2.3 21.9 1.0 SG A:CYS83 2.3 22.4 1.0 FE2 A:FES410 2.7 21.4 1.0 CB A:CYS83 3.1 23.1 1.0 CB A:CYS103 3.1 23.1 1.0 CB A:HIS85 4.1 22.3 1.0 CB A:TYR105 4.3 21.6 1.0 ND1 A:HIS85 4.4 20.9 1.0 N A:HIS106 4.5 21.8 1.0 CB A:SER88 4.5 23.5 1.0 ND1 A:HIS106 4.5 20.8 1.0 CA A:CYS103 4.6 21.8 1.0 CA A:CYS83 4.6 22.7 1.0 CG A:HIS85 4.8 21.7 1.0 CB A:TRP108 4.8 22.4 1.0 N A:ARG86 4.8 22.4 1.0 N A:TYR105 4.9 23.3 1.0 CG A:TRP108 4.9 23.0 1.0 N A:SER88 4.9 22.0 1.0 N A:HIS85 4.9 23.1 1.0 C A:CYS103 5.0 22.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution


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 A Putative Aromatic-Ring Hydroxylating Dioxygenase (TM1040_3219) From Silicibacter Sp. TM1040 at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe410 b:21.4 occ:1.00 FE2 A:FES410 0.0 21.4 1.0 ND1 A:HIS85 2.1 20.9 1.0 ND1 A:HIS106 2.2 20.8 1.0 S1 A:FES410 2.2 23.1 1.0 S2 A:FES410 2.2 22.5 1.0 FE1 A:FES410 2.7 21.7 1.0 CE1 A:HIS106 3.1 20.9 1.0 CE1 A:HIS85 3.1 21.5 1.0 CG A:HIS85 3.1 21.7 1.0 CG A:HIS106 3.2 20.8 1.0 CB A:HIS85 3.4 22.3 1.0 CB A:HIS106 3.5 21.8 1.0 N A:HIS106 3.9 21.8 1.0 CB A:TYR105 4.1 21.6 1.0 NE2 A:HIS106 4.2 20.3 1.0 NE2 A:HIS85 4.2 22.0 1.0 CA A:HIS106 4.2 22.3 1.0 CD2 A:HIS85 4.3 22.4 1.0 CD2 A:HIS106 4.3 21.6 1.0 N A:ARG86 4.4 22.4 1.0 SG A:CYS83 4.4 22.4 1.0 CG A:TYR105 4.5 20.5 1.0 CD2 A:TYR105 4.5 20.4 1.0 SG A:CYS103 4.5 21.9 1.0 C A:TYR105 4.7 22.5 1.0 CA A:HIS85 4.7 22.7 1.0 CB A:ARG86 4.8 21.9 1.0 CD1 A:TRP108 4.9 23.4 1.0 NE1 A:TRP108 4.9 22.6 1.0 CA A:TYR105 4.9 22.4 1.0 C A:HIS106 5.0 22.4 1.0 C A:HIS85 5.0 23.1 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.