Chlorine in PDB 4hjl: Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene

All present enzymatic activity of Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene:
1.14.12.12;

The structure of Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene, PDB code: 4hjl was solved by D.J.Ferraro, S.Ramaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.74 / 1.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	139.957, 139.957, 208.417, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 17.7

The structure of Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Chlorine atom in the Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene (pdb code 4hjl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene, PDB code: 4hjl:

Chlorine binding site 1 out of 1 in the Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:30.0 occ:1.00 CL1 A:15O503 0.0 30.0 1.0 C10 A:15O503 1.7 30.0 1.0 C09 A:15O503 2.7 30.0 1.0 C04 A:15O503 2.8 30.0 1.0 C03 A:15O503 3.1 30.0 1.0 CE1 A:HIS295 3.6 13.6 1.0 CG1 A:VAL260 3.7 23.1 1.0 C08 A:15O503 4.0 30.0 1.0 CD2 A:PHE224 4.0 32.5 1.0 C05 A:15O503 4.0 30.0 1.0 CE2 A:PHE224 4.1 34.0 1.0 NE2 A:HIS295 4.2 14.2 1.0 ND1 A:HIS295 4.4 12.6 1.0 CD1 A:LEU307 4.5 13.8 1.0 C02 A:15O503 4.5 30.0 1.0 CZ3 A:TRP358 4.5 24.1 1.0 C07 A:15O503 4.5 30.0 1.0 CG2 A:VAL209 4.8 15.7 1.0 CG1 A:VAL209 4.9 16.9 1.0

D.J.Ferraro, S.Ramaswamy. Naphthalene 1,2-Dioxygenase Bound to 1-Chloronaphthalene To Be Published.