Iron in PDB 2ei2: Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18

The structure of Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18, PDB code: 2ei2 was solved by D.B.Neau, M.S.Kelker, C.L.Colbert, J.T.Bolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 1.69
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.390, 118.390, 120.660, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.6

The structure of Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18 (pdb code 2ei2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18, PDB code: 2ei2:

Iron binding site 1 out of 1 in the Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Stain C18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe399 b:20.7 occ:1.00 OE1 A:GLU266 2.0 15.1 1.0 O A:HOH904 2.0 23.9 1.0 NE2 A:HIS215 2.2 14.8 1.0 NE2 A:HIS152 2.2 16.1 1.0 O A:HOH903 2.2 23.0 1.0 CD A:GLU266 3.0 14.4 1.0 CE1 A:HIS215 3.1 16.8 1.0 CE1 A:HIS152 3.1 16.1 1.0 CD2 A:HIS215 3.2 15.7 1.0 OH A:TYR256 3.2 18.0 1.0 CD2 A:HIS152 3.2 15.6 1.0 OE2 A:GLU266 3.4 15.3 1.0 O3 A:GOL902 3.8 61.2 1.0 CZ A:TYR256 4.1 16.0 1.0 CB A:MET217 4.2 15.0 1.0 NE2 A:HIS200 4.2 14.7 1.0 ND1 A:HIS215 4.2 14.1 1.0 ND1 A:HIS152 4.3 15.5 1.0 CG A:HIS215 4.3 14.3 1.0 CE2 A:TYR256 4.4 14.8 1.0 CG A:HIS152 4.4 12.6 1.0 CG A:MET217 4.4 14.9 0.5 CG A:GLU266 4.4 12.7 1.0 CG A:MET217 4.5 15.2 0.5 C3 A:GOL902 4.5 62.2 1.0 O A:HOH1143 4.7 39.3 1.0 CB A:GLU266 4.7 12.0 1.0 OD1 A:ASP250 4.8 20.3 0.5 CE1 A:HIS200 4.8 15.3 1.0 CD2 A:HIS247 4.9 17.7 1.0 NE2 A:HIS247 4.9 17.5 1.0

D.B.Neau, M.S.Kelker, H.Maaroufi, C.L.Colbert, L.D.Eltis, J.T.Bolin. Structural Explanation For Success and Failure in the Enzymatic Ring-Cleavage of 3,4 Dihydroxybiphenyl and Related Pcb Metabolites To Be Published.