Iron in PDB 8rgy: Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 8 Drops Merged

The structure of Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 8 Drops Merged, PDB code: 8rgy 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)	69.76 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.456, 67.759, 74.707, 90, 105.69, 90
R / Rfree (%)	22.3 / 27.5

The binding sites of Iron atom in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 8 Drops Merged (pdb code 8rgy). 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, 8 Drops Merged, PDB code: 8rgy:
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, 8 Drops Merged


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, 8 Drops Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.1 occ:1.00 FE A:HEM501 0.0 21.1 1.0 NB A:HEM501 2.0 20.0 1.0 NA A:HEM501 2.0 19.2 1.0 NC A:HEM501 2.1 21.1 1.0 ND A:HEM501 2.1 22.3 1.0 NE2 A:HIS326 2.2 19.5 1.0 O A:HOH729 2.7 27.8 1.0 C1B A:HEM501 3.0 15.7 1.0 C4B A:HEM501 3.0 23.8 1.0 C4A A:HEM501 3.0 18.3 1.0 C1C A:HEM501 3.1 17.0 1.0 C1A A:HEM501 3.1 20.6 1.0 C4C A:HEM501 3.1 17.9 1.0 C1D A:HEM501 3.1 14.9 1.0 C4D A:HEM501 3.1 19.4 1.0 CE1 A:HIS326 3.1 22.6 1.0 CD2 A:HIS326 3.2 15.5 1.0 CHB A:HEM501 3.4 21.4 1.0 CHC A:HEM501 3.4 14.0 1.0 CHA A:HEM501 3.5 20.6 1.0 CHD A:HEM501 3.5 16.1 1.0 ND1 A:HIS326 4.2 23.0 1.0 NH1 A:ARG342 4.2 21.4 1.0 O A:HOH629 4.2 27.2 1.0 C2B A:HEM501 4.3 28.0 1.0 C3B A:HEM501 4.3 16.4 1.0 C3A A:HEM501 4.3 17.6 1.0 CG A:HIS326 4.3 22.9 1.0 C2C A:HEM501 4.3 13.9 1.0 C2A A:HEM501 4.3 15.6 1.0 C3C A:HEM501 4.3 15.0 1.0 C2D A:HEM501 4.3 22.9 1.0 C3D A:HEM501 4.3 16.6 1.0 OD1 A:ASP239 4.6 25.0 1.0 CD A:ARG342 4.7 17.7 1.0 CZ A:ARG342 4.9 18.6 1.0

Iron binding site 2 out of 2 in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 8 Drops Merged


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, 8 Drops Merged within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:20.6 occ:1.00 FE B:HEM501 0.0 20.6 1.0 NA B:HEM501 2.0 17.2 1.0 NB B:HEM501 2.0 17.7 1.0 ND B:HEM501 2.1 17.8 1.0 NC B:HEM501 2.1 17.9 1.0 NE2 B:HIS326 2.1 20.8 1.0 O B:HOH750 2.8 28.4 1.0 C4A B:HEM501 3.0 15.1 1.0 C1B B:HEM501 3.0 22.2 1.0 C1D B:HEM501 3.1 16.3 1.0 C1A B:HEM501 3.1 17.0 1.0 C4B B:HEM501 3.1 21.0 1.0 C4C B:HEM501 3.1 17.2 1.0 C4D B:HEM501 3.1 18.3 1.0 C1C B:HEM501 3.1 15.6 1.0 CD2 B:HIS326 3.1 17.1 1.0 CE1 B:HIS326 3.1 19.7 1.0 CHB B:HEM501 3.4 16.9 1.0 CHD B:HEM501 3.4 20.8 1.0 CHC B:HEM501 3.5 13.3 1.0 CHA B:HEM501 3.5 16.7 1.0 ND1 B:HIS326 4.2 17.9 1.0 CG B:HIS326 4.2 18.4 1.0 C3A B:HEM501 4.3 21.2 1.0 NH1 B:ARG342 4.3 23.8 1.0 C2A B:HEM501 4.3 20.4 1.0 C2B B:HEM501 4.3 18.8 1.0 C3B B:HEM501 4.3 22.5 1.0 C2D B:HEM501 4.3 21.4 1.0 C3D B:HEM501 4.3 11.5 1.0 C3C B:HEM501 4.3 15.1 1.0 C2C B:HEM501 4.3 14.2 1.0 CD B:ARG342 4.8 14.9 1.0 CZ B:ARG342 5.0 20.6 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.