Iron in PDB 2ei3: Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl

The structure of Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl, PDB code: 2ei3 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)	28.50 / 1.90
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	117.785, 117.785, 121.528, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.6

The structure of Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl (pdb code 2ei3). 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 Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl, PDB code: 2ei3:

Iron binding site 1 out of 1 in the Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Anaerobic Crystal Structure Analysis of the 1,2-Dihydroxynaphthalene Dioxygenase From Pseudomonas Sp. Strain C18 Complexes with 2,3- Dihydroxybiphenyl within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe399 b:23.9 occ:1.00 OE1 A:GLU266 2.1 17.9 1.0 NE2 A:HIS152 2.1 20.2 1.0 O A:HOH904 2.2 13.1 0.5 O A:HOH903 2.2 20.4 0.5 OK2 A:BPY350 2.3 24.7 0.5 NE2 A:HIS215 2.3 21.5 1.0 OK1 A:BPY350 2.4 23.1 0.5 CE1 A:HIS152 2.9 18.9 1.0 CD A:GLU266 3.1 20.3 1.0 CK3 A:BPY350 3.1 23.7 0.5 CK4 A:BPY350 3.1 24.1 0.5 CE1 A:HIS215 3.2 20.2 1.0 CD2 A:HIS215 3.2 21.7 1.0 CD2 A:HIS152 3.3 19.3 1.0 OH A:TYR256 3.5 22.1 1.0 OE2 A:GLU266 3.5 19.9 1.0 O3 A:GOL902 4.0 21.8 0.5 NE2 A:HIS200 4.0 24.5 1.0 ND1 A:HIS152 4.1 21.4 1.0 CB A:MET217 4.2 15.7 1.0 CZ A:TYR256 4.2 21.9 1.0 O A:HOH911 4.2 29.9 1.0 NE2 A:HIS247 4.3 23.6 0.5 CG A:HIS152 4.3 20.3 1.0 ND1 A:HIS215 4.3 22.4 1.0 CE2 A:TYR256 4.3 21.1 1.0 CG A:HIS215 4.4 21.8 1.0 CG A:GLU266 4.4 19.0 1.0 CK2 A:BPY350 4.4 24.5 0.5 CK5 A:BPY350 4.5 23.8 0.5 C3 A:GOL902 4.5 26.2 0.5 CG A:MET217 4.6 16.4 1.0 O A:HOH905 4.7 16.3 0.5 CE1 A:HIS200 4.7 26.1 1.0 CB A:GLU266 4.7 19.5 1.0 CE1 A:HIS247 4.8 25.1 0.5

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.