Iron in PDB 8pnu: Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor

The binding sites of Iron atom in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor (pdb code 8pnu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor, PDB code: 8pnu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:18.1 occ:1.00 FE H:HEM201 0.0 18.1 1.0 NB H:HEM201 2.0 8.6 1.0 NC H:HEM201 2.0 11.2 1.0 ND H:HEM201 2.0 7.4 1.0 NA H:HEM201 2.0 6.0 1.0 NE2 G:HIS58 2.2 0.0 1.0 N H:ABN202 2.3 20.0 1.0 C4B H:HEM201 3.0 6.2 1.0 C1C H:HEM201 3.0 7.8 1.0 C4D H:HEM201 3.0 6.8 1.0 C1A H:HEM201 3.1 1.2 1.0 C1B H:HEM201 3.1 5.6 1.0 C1D H:HEM201 3.1 6.8 1.0 C4A H:HEM201 3.1 0.0 1.0 C4C H:HEM201 3.1 4.8 1.0 CE1 G:HIS58 3.1 0.4 1.0 CD2 G:HIS58 3.2 0.0 1.0 C H:ABN202 3.4 20.0 1.0 CHC H:HEM201 3.4 2.4 1.0 CHA H:HEM201 3.4 1.0 1.0 CHB H:HEM201 3.4 3.5 1.0 CHD H:HEM201 3.4 0.0 1.0 C1 H:ABN202 3.8 20.0 1.0 OH H:TYR103 3.9 8.6 1.0 C2 H:ABN202 4.2 20.0 1.0 C3B H:HEM201 4.2 13.4 1.0 ND1 G:HIS58 4.3 2.3 1.0 C2B H:HEM201 4.3 11.5 1.0 C3D H:HEM201 4.3 13.9 1.0 C2C H:HEM201 4.3 9.9 1.0 C2D H:HEM201 4.3 10.3 1.0 C2A H:HEM201 4.3 10.0 1.0 C3A H:HEM201 4.3 10.0 1.0 C3C H:HEM201 4.3 11.0 1.0 CG G:HIS58 4.3 6.1 1.0 C6 H:ABN202 4.6 20.0 1.0 CE1 H:TYR103 4.7 10.2 1.0 CZ H:TYR103 4.8 3.7 1.0

Iron binding site 2 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe203 b:18.1 occ:1.00 FE H:HEM203 0.0 18.1 1.0 NB H:HEM203 2.0 8.6 1.0 NC H:HEM203 2.0 11.2 1.0 ND H:HEM203 2.0 7.4 1.0 NA H:HEM203 2.0 6.0 1.0 NE2 H:HIS58 2.2 0.0 1.0 N I:ABN201 2.3 20.0 1.0 C4B H:HEM203 3.0 6.2 1.0 C4D H:HEM203 3.0 6.8 1.0 C1C H:HEM203 3.0 7.8 1.0 C1A H:HEM203 3.1 1.2 1.0 C1B H:HEM203 3.1 5.6 1.0 C1D H:HEM203 3.1 6.8 1.0 C4C H:HEM203 3.1 4.8 1.0 C4A H:HEM203 3.1 0.0 1.0 CE1 H:HIS58 3.1 0.4 1.0 CD2 H:HIS58 3.2 0.0 1.0 C I:ABN201 3.4 20.0 1.0 CHC H:HEM203 3.4 2.4 1.0 CHA H:HEM203 3.4 1.0 1.0 CHB H:HEM203 3.4 3.5 1.0 CHD H:HEM203 3.4 0.0 1.0 C1 I:ABN201 3.8 20.0 1.0 OH I:TYR103 3.9 8.6 1.0 C2 I:ABN201 4.2 20.0 1.0 C3B H:HEM203 4.2 13.4 1.0 ND1 H:HIS58 4.3 2.3 1.0 C2B H:HEM203 4.3 11.5 1.0 C3D H:HEM203 4.3 13.9 1.0 C2D H:HEM203 4.3 10.3 1.0 C2C H:HEM203 4.3 9.9 1.0 C2A H:HEM203 4.3 10.0 1.0 C3A H:HEM203 4.3 10.0 1.0 C3C H:HEM203 4.3 11.0 1.0 CG H:HIS58 4.3 6.1 1.0 C6 I:ABN201 4.6 20.0 1.0 CE1 I:TYR103 4.8 10.2 1.0 CZ I:TYR103 4.8 3.7 1.0

Iron binding site 3 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe202 b:18.1 occ:1.00 FE I:HEM202 0.0 18.1 1.0 NB I:HEM202 2.0 8.6 1.0 NC I:HEM202 2.0 11.2 1.0 ND I:HEM202 2.0 7.4 1.0 NA I:HEM202 2.0 6.0 1.0 NE2 I:HIS58 2.2 0.0 1.0 N G:ABN201 2.3 20.0 1.0 C4B I:HEM202 3.0 6.2 1.0 C1C I:HEM202 3.0 7.8 1.0 C4D I:HEM202 3.0 6.8 1.0 C1A I:HEM202 3.1 1.2 1.0 C1B I:HEM202 3.1 5.6 1.0 C1D I:HEM202 3.1 6.8 1.0 C4C I:HEM202 3.1 4.8 1.0 C4A I:HEM202 3.1 0.0 1.0 CE1 I:HIS58 3.1 0.4 1.0 CD2 I:HIS58 3.2 0.0 1.0 C G:ABN201 3.4 20.0 1.0 CHC I:HEM202 3.4 2.4 1.0 CHA I:HEM202 3.4 1.0 1.0 CHB I:HEM202 3.4 3.5 1.0 CHD I:HEM202 3.4 0.0 1.0 C1 G:ABN201 3.8 20.0 1.0 OH G:TYR103 3.8 8.6 1.0 C2 G:ABN201 4.2 20.0 1.0 C3B I:HEM202 4.2 13.4 1.0 ND1 I:HIS58 4.3 2.3 1.0 C2B I:HEM202 4.3 11.5 1.0 C3D I:HEM202 4.3 13.9 1.0 C2D I:HEM202 4.3 10.3 1.0 C2C I:HEM202 4.3 9.9 1.0 C2A I:HEM202 4.3 10.0 1.0 C3A I:HEM202 4.3 10.0 1.0 C3C I:HEM202 4.3 11.0 1.0 CG I:HIS58 4.3 6.1 1.0 C6 G:ABN201 4.6 20.0 1.0 CE1 G:TYR103 4.8 10.2 1.0 CZ G:TYR103 4.8 3.7 1.0

Iron binding site 4 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:18.1 occ:1.00 FE B:HEM201 0.0 18.1 1.0 NB B:HEM201 2.0 8.6 1.0 NC B:HEM201 2.0 11.2 1.0 ND B:HEM201 2.0 7.4 1.0 NA B:HEM201 2.0 6.0 1.0 NE2 A:HIS58 2.2 0.0 1.0 N B:ABN202 2.3 20.0 1.0 C4B B:HEM201 3.0 6.2 1.0 C1C B:HEM201 3.0 7.8 1.0 C4D B:HEM201 3.0 6.8 1.0 C1A B:HEM201 3.1 1.2 1.0 C1B B:HEM201 3.1 5.6 1.0 C1D B:HEM201 3.1 6.8 1.0 C4A B:HEM201 3.1 0.0 1.0 C4C B:HEM201 3.1 4.8 1.0 CE1 A:HIS58 3.1 0.4 1.0 CD2 A:HIS58 3.2 0.0 1.0 C B:ABN202 3.4 20.0 1.0 CHC B:HEM201 3.4 2.4 1.0 CHA B:HEM201 3.4 1.0 1.0 CHB B:HEM201 3.4 3.5 1.0 CHD B:HEM201 3.4 0.0 1.0 C1 B:ABN202 3.8 20.0 1.0 OH B:TYR103 3.9 8.6 1.0 C2 B:ABN202 4.2 20.0 1.0 C3B B:HEM201 4.2 13.4 1.0 ND1 A:HIS58 4.3 2.3 1.0 C2B B:HEM201 4.3 11.5 1.0 C3D B:HEM201 4.3 13.9 1.0 C2C B:HEM201 4.3 9.9 1.0 C2D B:HEM201 4.3 10.3 1.0 C2A B:HEM201 4.3 10.0 1.0 C3A B:HEM201 4.3 10.0 1.0 C3C B:HEM201 4.3 11.0 1.0 CG A:HIS58 4.3 6.1 1.0 C6 B:ABN202 4.6 20.0 1.0 CE1 B:TYR103 4.7 10.2 1.0 CZ B:TYR103 4.8 3.7 1.0

Iron binding site 5 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:18.1 occ:1.00 FE B:HEM203 0.0 18.1 1.0 NB B:HEM203 2.0 8.6 1.0 NC B:HEM203 2.0 11.2 1.0 ND B:HEM203 2.0 7.4 1.0 NA B:HEM203 2.0 6.0 1.0 NE2 B:HIS58 2.2 0.0 1.0 N C:ABN201 2.3 20.0 1.0 C4B B:HEM203 3.0 6.2 1.0 C4D B:HEM203 3.0 6.8 1.0 C1C B:HEM203 3.0 7.8 1.0 C1A B:HEM203 3.1 1.2 1.0 C1B B:HEM203 3.1 5.6 1.0 C1D B:HEM203 3.1 6.8 1.0 C4C B:HEM203 3.1 4.8 1.0 C4A B:HEM203 3.1 0.0 1.0 CE1 B:HIS58 3.1 0.4 1.0 CD2 B:HIS58 3.2 0.0 1.0 C C:ABN201 3.4 20.0 1.0 CHC B:HEM203 3.4 2.4 1.0 CHA B:HEM203 3.4 1.0 1.0 CHB B:HEM203 3.4 3.5 1.0 CHD B:HEM203 3.4 0.0 1.0 C1 C:ABN201 3.8 20.0 1.0 OH C:TYR103 3.9 8.6 1.0 C2 C:ABN201 4.2 20.0 1.0 C3B B:HEM203 4.2 13.4 1.0 ND1 B:HIS58 4.3 2.3 1.0 C2B B:HEM203 4.3 11.5 1.0 C3D B:HEM203 4.3 13.9 1.0 C2D B:HEM203 4.3 10.3 1.0 C2C B:HEM203 4.3 9.9 1.0 C2A B:HEM203 4.3 10.0 1.0 C3A B:HEM203 4.3 10.0 1.0 C3C B:HEM203 4.3 11.0 1.0 CG B:HIS58 4.3 6.1 1.0 C6 C:ABN201 4.6 20.0 1.0 CE1 C:TYR103 4.8 10.2 1.0 CZ C:TYR103 4.8 3.7 1.0

Iron binding site 6 out of 6 in the Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:18.1 occ:1.00 FE C:HEM202 0.0 18.1 1.0 NB C:HEM202 2.0 8.6 1.0 NC C:HEM202 2.0 11.2 1.0 ND C:HEM202 2.0 7.4 1.0 NA C:HEM202 2.0 6.0 1.0 NE2 C:HIS58 2.2 0.0 1.0 N A:ABN201 2.3 20.0 1.0 C4B C:HEM202 3.0 6.2 1.0 C1C C:HEM202 3.0 7.8 1.0 C4D C:HEM202 3.0 6.8 1.0 C1A C:HEM202 3.1 1.2 1.0 C1B C:HEM202 3.1 5.6 1.0 C1D C:HEM202 3.1 6.8 1.0 C4C C:HEM202 3.1 4.8 1.0 C4A C:HEM202 3.1 0.0 1.0 CE1 C:HIS58 3.1 0.4 1.0 CD2 C:HIS58 3.2 0.0 1.0 C A:ABN201 3.4 20.0 1.0 CHC C:HEM202 3.4 2.4 1.0 CHA C:HEM202 3.4 1.0 1.0 CHB C:HEM202 3.4 3.5 1.0 CHD C:HEM202 3.4 0.0 1.0 C1 A:ABN201 3.8 20.0 1.0 OH A:TYR103 3.8 8.6 1.0 C2 A:ABN201 4.2 20.0 1.0 C3B C:HEM202 4.2 13.4 1.0 ND1 C:HIS58 4.3 2.3 1.0 C2B C:HEM202 4.3 11.5 1.0 C3D C:HEM202 4.3 13.9 1.0 C2D C:HEM202 4.3 10.3 1.0 C2C C:HEM202 4.3 9.9 1.0 C2A C:HEM202 4.3 10.0 1.0 C3A C:HEM202 4.3 10.0 1.0 C3C C:HEM202 4.3 11.0 1.0 CG C:HIS58 4.3 6.1 1.0 C6 A:ABN201 4.6 20.0 1.0 CE1 A:TYR103 4.8 10.2 1.0 CZ A:TYR103 4.8 3.7 1.0

B.Khanppnavar, V.Korkhov, X.Li. Cryo-Em Structure of Styrene Oxide Isomerase Bound to Benzylamine Inhibitor To Be Published.