Iron in PDB 8rgs: Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa

The structure of Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, PDB code: 8rgs was solved by A.J.Thompson, H.A.Hough, L.J.Williams, J.A.R.Worrall, J.Sanchez-Weatherby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.77 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.474, 67.765, 74.733, 90, 105.7, 90
R / Rfree (%)	18.9 / 22.8

The binding sites of Iron atom in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa (pdb code 8rgs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, PDB code: 8rgs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:15.1 occ:1.00 FE A:HEM501 0.0 15.1 1.0 NA A:HEM501 2.0 15.7 1.0 ND A:HEM501 2.0 13.5 1.0 NB A:HEM501 2.0 14.1 1.0 NC A:HEM501 2.1 15.1 1.0 NE2 A:HIS326 2.2 17.9 1.0 O A:HOH728 2.5 19.2 1.0 C4D A:HEM501 3.0 17.4 1.0 C4A A:HEM501 3.0 15.8 1.0 C1A A:HEM501 3.0 15.3 1.0 C1B A:HEM501 3.0 15.2 1.0 C1C A:HEM501 3.1 14.9 1.0 C1D A:HEM501 3.1 13.8 1.0 C4B A:HEM501 3.1 18.2 1.0 C4C A:HEM501 3.1 15.3 1.0 CD2 A:HIS326 3.1 15.2 1.0 CE1 A:HIS326 3.1 18.9 1.0 CHA A:HEM501 3.4 16.9 1.0 CHB A:HEM501 3.4 17.4 1.0 CHC A:HEM501 3.4 14.4 1.0 CHD A:HEM501 3.5 15.1 1.0 NH1 A:ARG342 4.2 14.3 1.0 C3D A:HEM501 4.2 16.6 1.0 ND1 A:HIS326 4.2 15.4 1.0 O A:HOH674 4.3 23.1 1.0 C3A A:HEM501 4.3 13.1 1.0 C2A A:HEM501 4.3 12.8 1.0 C2D A:HEM501 4.3 19.1 1.0 CG A:HIS326 4.3 17.3 1.0 C2C A:HEM501 4.3 15.9 1.0 C3C A:HEM501 4.3 15.7 1.0 C2B A:HEM501 4.3 16.6 1.0 C3B A:HEM501 4.3 15.5 1.0 CD A:ARG342 4.7 19.2 1.0 OD1 A:ASP239 4.7 19.3 1.0 CZ A:ARG342 4.9 19.2 1.0

Iron binding site 2 out of 2 in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:15.5 occ:1.00 FE B:HEM501 0.0 15.5 1.0 NC B:HEM501 2.0 13.8 1.0 ND B:HEM501 2.0 13.9 1.0 NB B:HEM501 2.0 16.5 1.0 NA B:HEM501 2.0 15.0 1.0 NE2 B:HIS326 2.1 17.3 1.0 O B:HOH682 2.6 29.1 1.0 CE1 B:HIS326 3.0 17.9 1.0 C1D B:HEM501 3.0 16.4 1.0 C4A B:HEM501 3.0 14.5 1.0 C4C B:HEM501 3.0 15.1 1.0 C1C B:HEM501 3.0 13.2 1.0 C1B B:HEM501 3.0 17.8 1.0 C4B B:HEM501 3.0 14.1 1.0 C4D B:HEM501 3.1 14.7 1.0 CD2 B:HIS326 3.1 15.5 1.0 C1A B:HEM501 3.1 18.6 1.0 CHB B:HEM501 3.4 18.2 1.0 CHD B:HEM501 3.4 16.7 1.0 CHC B:HEM501 3.4 12.9 1.0 CHA B:HEM501 3.5 18.0 1.0 ND1 B:HIS326 4.1 16.6 1.0 CG B:HIS326 4.2 14.9 1.0 NH1 B:ARG342 4.2 15.6 1.0 C2D B:HEM501 4.2 17.3 1.0 C2C B:HEM501 4.2 13.6 1.0 C3A B:HEM501 4.2 19.9 1.0 C3C B:HEM501 4.2 14.2 1.0 C3D B:HEM501 4.3 15.7 1.0 C2B B:HEM501 4.3 18.9 1.0 C3B B:HEM501 4.3 17.8 1.0 C2A B:HEM501 4.3 18.7 1.0 CD B:ARG342 4.9 17.6 1.0 CZ B:ARG342 4.9 15.9 1.0

A.J.Thompson, H.A.Hough, L.J.Willliams, J.A.R.Worrall, J.Sanchez-Weatherby. Efficient in Situ Screening of and Data Collection From Microcrystals in Crystallisation Plates To Be Published.