Iron in PDB 30tw: Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand

The structure of Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand, PDB code: 30tw was solved by Y.Bloch, K.Kovalev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.82 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.81, 99.323, 60.33, 90, 90, 90
R / Rfree (%)	18.4 / 20.4

The structure of Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand (pdb code 30tw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand, PDB code: 30tw:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand


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 Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe213 b:20.9 occ:1.00 FE A:HEM213 0.0 20.9 1.0 NE2 A:HIS80 2.0 21.6 1.0 NB A:HEM213 2.0 21.2 1.0 NA A:HEM213 2.0 20.4 1.0 ND A:HEM213 2.0 20.9 1.0 NC A:HEM213 2.0 19.7 1.0 CE1 A:HIS80 3.0 22.9 1.0 CD2 A:HIS80 3.0 21.7 1.0 HH B:TYR125 3.0 24.4 1.0 C1B A:HEM213 3.0 22.5 1.0 C1D A:HEM213 3.0 21.5 1.0 C4A A:HEM213 3.0 21.6 1.0 C1A A:HEM213 3.1 21.2 1.0 C4C A:HEM213 3.1 20.5 1.0 C1C A:HEM213 3.1 20.7 1.0 C4D A:HEM213 3.1 21.9 1.0 C4B A:HEM213 3.1 22.0 1.0 HE1 A:HIS80 3.2 22.9 1.0 HD2 A:HIS80 3.2 21.7 1.0 CHB A:HEM213 3.4 22.2 1.0 CHD A:HEM213 3.4 20.7 1.0 CHA A:HEM213 3.4 21.6 1.0 CHC A:HEM213 3.4 21.4 1.0 HE1 B:TYR125 3.8 23.1 1.0 OH B:TYR125 3.9 24.4 1.0 CG A:HIS80 4.1 20.8 1.0 ND1 A:HIS80 4.1 22.5 1.0 C3B A:HEM213 4.3 22.9 1.0 C2B A:HEM213 4.3 23.1 1.0 C3C A:HEM213 4.3 21.1 1.0 C2D A:HEM213 4.3 23.3 1.0 C3A A:HEM213 4.3 22.2 1.0 C3D A:HEM213 4.3 23.9 1.0 C2A A:HEM213 4.3 22.3 1.0 C2C A:HEM213 4.3 21.1 1.0 HHB A:HEM213 4.4 22.5 1.0 HHD A:HEM213 4.5 20.9 1.0 HHA A:HEM213 4.5 21.6 1.0 HHC A:HEM213 4.5 21.6 1.0 HA3 A:GLY45 4.6 22.1 1.0 CE1 B:TYR125 4.7 23.1 1.0 CZ B:TYR125 4.8 23.7 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe214 b:20.4 occ:1.00 FE B:HEM214 0.0 20.4 1.0 NE2 B:HIS80 2.0 21.5 1.0 NB B:HEM214 2.0 20.5 1.0 NA B:HEM214 2.0 19.9 1.0 NC B:HEM214 2.0 18.8 1.0 ND B:HEM214 2.0 20.5 1.0 CD2 B:HIS80 3.0 21.8 1.0 HH C:TYR125 3.0 23.8 1.0 CE1 B:HIS80 3.0 22.7 1.0 C1B B:HEM214 3.0 21.6 1.0 C4A B:HEM214 3.0 21.2 1.0 C1A B:HEM214 3.0 20.7 1.0 C1C B:HEM214 3.1 19.4 1.0 C1D B:HEM214 3.1 21.1 1.0 C4B B:HEM214 3.1 21.3 1.0 C4C B:HEM214 3.1 19.8 1.0 C4D B:HEM214 3.1 21.3 1.0 HD2 B:HIS80 3.2 21.8 1.0 HE1 B:HIS80 3.2 22.7 1.0 CHB B:HEM214 3.4 21.4 1.0 CHC B:HEM214 3.4 19.9 1.0 CHD B:HEM214 3.4 20.6 1.0 CHA B:HEM214 3.4 20.5 1.0 HE1 C:TYR125 3.9 22.2 1.0 OH C:TYR125 3.9 23.8 1.0 CG B:HIS80 4.1 21.4 1.0 ND1 B:HIS80 4.1 22.4 1.0 C2B B:HEM214 4.3 23.0 1.0 C3B B:HEM214 4.3 22.8 1.0 C3A B:HEM214 4.3 22.1 1.0 C2A B:HEM214 4.3 21.4 1.0 C3C B:HEM214 4.3 20.0 1.0 C2D B:HEM214 4.3 22.1 1.0 C2C B:HEM214 4.3 19.1 1.0 C3D B:HEM214 4.3 23.2 1.0 HHB B:HEM214 4.4 21.7 1.0 HHC B:HEM214 4.5 20.2 1.0 HHD B:HEM214 4.5 20.6 1.0 HHA B:HEM214 4.5 20.6 1.0 HA3 B:GLY45 4.7 23.0 1.0 CE1 C:TYR125 4.7 22.2 1.0 CZ C:TYR125 4.8 23.0 1.0 HD23 B:LEU48 4.9 23.4 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase with Unknown Ligand within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:19.1 occ:1.00 FE C:HEM201 0.0 19.1 1.0 NE2 C:HIS80 2.0 19.6 1.0 ND C:HEM201 2.0 19.0 1.0 NB C:HEM201 2.0 19.2 1.0 NA C:HEM201 2.0 17.6 1.0 NC C:HEM201 2.0 18.1 1.0 CE1 C:HIS80 3.0 21.2 1.0 CD2 C:HIS80 3.0 19.8 1.0 C1B C:HEM201 3.0 20.1 1.0 C1D C:HEM201 3.0 20.1 1.0 C1A C:HEM201 3.0 18.7 1.0 C1C C:HEM201 3.0 19.2 1.0 C4B C:HEM201 3.1 19.9 1.0 C4A C:HEM201 3.1 18.8 1.0 C4C C:HEM201 3.1 19.4 1.0 C4D C:HEM201 3.1 20.0 1.0 HH A:TYR125 3.1 22.0 1.0 HE1 C:HIS80 3.2 21.2 1.0 HD2 C:HIS80 3.2 19.8 1.0 CHB C:HEM201 3.4 19.7 1.0 CHD C:HEM201 3.4 20.2 1.0 CHC C:HEM201 3.4 19.7 1.0 CHA C:HEM201 3.4 19.4 1.0 HE1 A:TYR125 3.9 20.1 1.0 OH A:TYR125 3.9 22.0 1.0 CG C:HIS80 4.1 20.2 1.0 ND1 C:HIS80 4.1 21.3 1.0 C3B C:HEM201 4.3 21.2 1.0 C2B C:HEM201 4.3 20.9 1.0 C2D C:HEM201 4.3 21.4 1.0 C2A C:HEM201 4.3 19.1 1.0 C3C C:HEM201 4.3 20.4 1.0 C3D C:HEM201 4.3 22.1 1.0 C3A C:HEM201 4.3 19.2 1.0 C2C C:HEM201 4.3 20.0 1.0 HHB C:HEM201 4.4 19.9 1.0 HHD C:HEM201 4.5 20.4 1.0 HHC C:HEM201 4.5 20.0 1.0 HHA C:HEM201 4.5 19.6 1.0 HA3 C:GLY45 4.7 19.7 1.0 CE1 A:TYR125 4.7 20.1 1.0 CZ A:TYR125 4.8 20.8 1.0 HD23 C:LEU48 5.0 22.7 1.0

Y.Bloch, K.Kovalev. Crystal Structure of Sphingobium Lactosutens Styrene-Oxide Isomerase To Be Published.