Iron in PDB 4qm9: Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound

All present enzymatic activity of Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound:
1.13.11.20;

The structure of Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound, PDB code: 4qm9 was solved by S.H.Hartman, C.M.Driggers, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.30
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.530, 65.530, 199.360, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 26.2

The binding sites of Iron atom in the Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound (pdb code 4qm9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound, PDB code: 4qm9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound


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 A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:46.6 occ:1.00 NE2 A:HIS77 2.0 56.1 1.0 NE2 A:HIS75 2.0 54.7 1.0 NE2 A:HIS125 2.2 47.2 1.0 SG A:CYS202 2.3 61.5 1.0 N A:CYS202 2.4 58.8 1.0 CE1 A:HIS77 2.9 52.8 1.0 CE1 A:HIS75 2.9 51.6 1.0 O A:HOH332 3.0 52.2 1.0 CD2 A:HIS75 3.0 52.1 1.0 CD2 A:HIS77 3.0 45.8 1.0 CE1 A:HIS125 3.2 43.8 1.0 CA A:CYS202 3.2 69.3 1.0 CD2 A:HIS125 3.3 48.9 1.0 CB A:CYS202 3.3 59.5 1.0 ND1 A:HIS77 4.0 48.9 1.0 ND1 A:HIS75 4.0 50.7 1.0 CG A:HIS75 4.1 49.7 1.0 OH A:TYR141 4.1 59.1 1.0 CG A:HIS77 4.1 50.4 1.0 ND1 A:HIS125 4.3 47.1 1.0 CG A:HIS125 4.4 49.2 1.0 C A:CYS202 4.6 73.7 1.0 CE1 A:TYR141 4.7 52.8 1.0 CZ A:TYR141 4.9 48.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound


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 A Putative Cysteine Dioxygnase From Bacillus Subtilis with Cys-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:47.0 occ:1.00 NE2 B:HIS75 2.0 55.1 1.0 NE2 B:HIS77 2.1 59.3 1.0 N B:CYS202 2.3 66.2 0.8 NE2 B:HIS125 2.3 57.9 1.0 SG B:CYS202 2.3 57.5 0.8 CE1 B:HIS77 2.9 61.7 1.0 CE1 B:HIS75 3.0 57.6 1.0 CE1 B:HIS125 3.0 47.2 1.0 CD2 B:HIS75 3.1 54.4 1.0 CD2 B:HIS77 3.2 64.5 1.0 CA B:CYS202 3.2 58.9 0.8 CB B:CYS202 3.3 60.3 0.8 CD2 B:HIS125 3.4 51.2 1.0 O B:HOH330 3.7 71.9 1.0 OH B:TYR141 3.8 61.0 1.0 ND1 B:HIS77 4.1 61.8 1.0 ND1 B:HIS75 4.1 57.8 1.0 ND1 B:HIS125 4.2 49.6 1.0 CG B:HIS75 4.2 56.5 1.0 CG B:HIS77 4.3 62.0 1.0 CG B:HIS125 4.4 47.8 1.0 C B:CYS202 4.5 60.5 0.8 CZ B:TYR141 4.7 60.5 1.0 CE1 B:TYR141 4.8 57.6 1.0 OXT B:CYS202 4.9 62.9 0.8

C.M.Driggers, S.H.Hartman, P.A.Karplus. Structures of Arg- and Gln-Type Bacterial Cysteine Dioxygenase Homologs Protein Sci. 2014.
ISSN: ESSN 1469-896X
DOI: 10.1002/PRO.2587