Iron in PDB 8rgw: Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 12 Drops Merged

The structure of Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 12 Drops Merged, PDB code: 8rgw 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)	69.73 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.428, 67.728, 74.673, 90, 105.69, 90
R / Rfree (%)	21.2 / 24.2

The binding sites of Iron atom in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 12 Drops Merged (pdb code 8rgw). 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, 12 Drops Merged, PDB code: 8rgw:
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, 12 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, 12 Drops Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.8 occ:1.00 FE A:HEM501 0.0 13.8 1.0 ND A:HEM501 2.0 12.6 1.0 NC A:HEM501 2.0 13.6 1.0 NA A:HEM501 2.0 15.3 1.0 NB A:HEM501 2.1 11.1 1.0 NE2 A:HIS326 2.1 16.7 1.0 O A:HOH660 2.6 18.2 1.0 CE1 A:HIS326 3.0 17.5 1.0 C4D A:HEM501 3.1 12.4 1.0 C1D A:HEM501 3.1 11.3 1.0 C1C A:HEM501 3.1 13.5 1.0 C4C A:HEM501 3.1 14.1 1.0 C1A A:HEM501 3.1 14.3 1.0 C4A A:HEM501 3.1 14.6 1.0 C4B A:HEM501 3.1 15.2 1.0 C1B A:HEM501 3.1 13.9 1.0 CD2 A:HIS326 3.2 11.1 1.0 CHA A:HEM501 3.4 17.5 1.0 CHC A:HEM501 3.4 11.3 1.0 CHD A:HEM501 3.4 15.0 1.0 CHB A:HEM501 3.4 16.1 1.0 ND1 A:HIS326 4.2 15.7 1.0 NH1 A:ARG342 4.2 12.0 1.0 O A:HOH653 4.2 21.8 1.0 CG A:HIS326 4.3 15.6 1.0 C3D A:HEM501 4.3 13.2 1.0 C2D A:HEM501 4.3 13.9 1.0 C2C A:HEM501 4.3 15.2 1.0 C3C A:HEM501 4.3 10.7 1.0 C3A A:HEM501 4.3 13.4 1.0 C2A A:HEM501 4.3 10.9 1.0 C3B A:HEM501 4.3 13.2 1.0 C2B A:HEM501 4.3 15.6 1.0 CD A:ARG342 4.7 16.3 1.0 OD1 A:ASP239 4.8 20.4 1.0 CZ A:ARG342 4.9 18.5 1.0

Iron binding site 2 out of 2 in the Serial Synchrotron in Plate Room Temperature Structure of Dye Type Peroxidase Aa, 12 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, 12 Drops Merged within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:14.3 occ:1.00 FE B:HEM501 0.0 14.3 1.0 NB B:HEM501 2.0 15.5 1.0 NC B:HEM501 2.0 11.7 1.0 ND B:HEM501 2.1 13.4 1.0 NE2 B:HIS326 2.1 14.9 1.0 NA B:HEM501 2.1 12.9 1.0 O B:HOH655 2.7 29.6 1.0 CE1 B:HIS326 3.0 12.8 1.0 C1B B:HEM501 3.0 16.3 1.0 C4C B:HEM501 3.0 11.7 1.0 C1D B:HEM501 3.1 17.8 1.0 C4B B:HEM501 3.1 17.2 1.0 CD2 B:HIS326 3.1 13.1 1.0 C1C B:HEM501 3.1 11.4 1.0 C4A B:HEM501 3.1 14.6 1.0 C4D B:HEM501 3.1 12.6 1.0 C1A B:HEM501 3.1 14.2 1.0 CHD B:HEM501 3.4 13.5 1.0 CHB B:HEM501 3.4 16.1 1.0 CHC B:HEM501 3.4 11.2 1.0 CHA B:HEM501 3.5 15.2 1.0 ND1 B:HIS326 4.1 12.9 1.0 CG B:HIS326 4.2 17.6 1.0 NH1 B:ARG342 4.3 15.2 1.0 C2B B:HEM501 4.3 16.8 1.0 C3C B:HEM501 4.3 12.2 1.0 C3B B:HEM501 4.3 14.7 1.0 C2C B:HEM501 4.3 12.4 1.0 C2D B:HEM501 4.3 16.3 1.0 C3A B:HEM501 4.3 15.7 1.0 C3D B:HEM501 4.3 13.2 1.0 C2A B:HEM501 4.3 17.9 1.0 CD B:ARG342 4.8 14.0 1.0 CZ B:ARG342 4.9 16.8 1.0

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