Iron in PDB 6l3w: Crystal Structure of Bphc, A Halotolerant Catechol Dioxygenase

The structure of Crystal Structure of Bphc, A Halotolerant Catechol Dioxygenase, PDB code: 6l3w was solved by K.G.Thakur, V.Solanki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.19 / 2.60
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.640, 98.640, 158.560, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.8

The binding sites of Iron atom in the Crystal Structure of Bphc, A Halotolerant Catechol Dioxygenase (pdb code 6l3w). 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 of Bphc, A Halotolerant Catechol Dioxygenase, PDB code: 6l3w:

Iron binding site 1 out of 1 in the Crystal Structure of Bphc, A Halotolerant Catechol Dioxygenase


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 Bphc, A Halotolerant Catechol Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:56.7 occ:1.00 O A:HOH503 2.3 9.1 1.0 OE1 A:GLU256 2.3 19.5 1.0 NE2 A:HIS205 2.3 22.4 1.0 NE2 A:HIS145 2.4 17.9 1.0 CE1 A:HIS145 3.2 18.0 1.0 CE1 A:HIS205 3.3 22.0 1.0 CD2 A:HIS205 3.4 22.4 1.0 CD2 A:HIS145 3.4 17.9 1.0 CD A:GLU256 3.4 18.8 1.0 NE2 A:HIS189 3.5 28.3 1.0 OE2 A:GLU256 4.0 18.5 1.0 CG2 A:VAL147 4.0 16.2 1.0 OH A:TYR246 4.1 19.4 1.0 CE1 A:HIS189 4.1 28.4 1.0 ND1 A:HIS145 4.4 17.6 1.0 ND1 A:HIS205 4.4 21.8 1.0 CB A:MET207 4.4 20.4 1.0 CG A:HIS145 4.5 17.6 1.0 CG A:HIS205 4.5 21.9 1.0 CG A:GLU256 4.6 18.9 1.0 OD2 A:ASP240 4.6 32.9 1.0 CD2 A:HIS189 4.7 28.8 1.0 CB A:GLU256 4.7 18.6 1.0 CG A:MET207 4.7 20.6 1.0 NE2 A:HIS237 4.9 23.3 1.0 CD2 A:HIS237 5.0 23.4 1.0 CZ A:TYR246 5.0 19.4 1.0

K.G.Thakur, V.Solanki, C.Sidhu, A.K.Pinnaka. Structure Elucidation and Biochemical Characterization of Environmentally Relevant Novel Extradiol Dioxygenase Bphc Discovered By Functional Metagenomic Approach To Be Published.