Iron in PDB 9epd: Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection

The structure of Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection, PDB code: 9epd was solved by L.J.Williams, R.L.Owen, J.A.R.Worrall, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.05 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.72, 68.2, 74.6, 90, 105.6, 90
R / Rfree (%)	17.7 / 20.5

The binding sites of Iron atom in the Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection (pdb code 9epd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection, PDB code: 9epd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.0 occ:1.00 FE A:HEM501 0.0 10.0 1.0 ND A:HEM501 2.0 10.7 1.0 NA A:HEM501 2.0 10.2 1.0 NC A:HEM501 2.0 10.9 1.0 NB A:HEM501 2.1 10.0 1.0 NE2 A:HIS326 2.1 10.9 1.0 O A:HOH699 2.3 12.9 1.0 C1D A:HEM501 3.0 9.7 1.0 C4D A:HEM501 3.0 10.0 1.0 C4C A:HEM501 3.0 11.0 1.0 C4A A:HEM501 3.0 9.8 1.0 C1B A:HEM501 3.0 9.8 1.0 C4B A:HEM501 3.0 10.8 1.0 CD2 A:HIS326 3.1 10.4 1.0 C1A A:HEM501 3.1 10.0 1.0 CE1 A:HIS326 3.1 10.7 1.0 C1C A:HEM501 3.1 11.2 1.0 CHD A:HEM501 3.4 11.2 1.0 CHA A:HEM501 3.4 10.3 1.0 CHB A:HEM501 3.4 10.6 1.0 CHC A:HEM501 3.5 10.5 1.0 ND1 A:HIS326 4.2 11.1 1.0 CG A:HIS326 4.2 10.4 1.0 C3D A:HEM501 4.2 9.3 1.0 C3B A:HEM501 4.2 11.0 1.0 C3A A:HEM501 4.2 10.0 1.0 C2A A:HEM501 4.2 9.8 1.0 C2D A:HEM501 4.3 10.4 1.0 C2C A:HEM501 4.3 11.7 1.0 C3C A:HEM501 4.3 10.9 1.0 NH1 A:ARG342 4.3 10.6 1.0 C2B A:HEM501 4.3 10.6 1.0 O A:HOH644 4.3 13.8 1.0 OD1 A:ASP239 4.6 10.6 1.0 CD A:ARG342 5.0 11.2 1.0

Iron binding site 2 out of 2 in the Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:10.3 occ:1.00 FE B:HEM501 0.0 10.3 1.0 ND B:HEM501 1.9 10.6 1.0 NA B:HEM501 2.0 9.5 1.0 NB B:HEM501 2.0 10.5 1.0 NC B:HEM501 2.0 10.9 1.0 NE2 B:HIS326 2.1 10.6 1.0 O B:HOH696 2.4 21.7 0.5 C1D B:HEM501 3.0 10.8 1.0 C4A B:HEM501 3.0 10.3 1.0 C4D B:HEM501 3.0 10.1 1.0 C4C B:HEM501 3.0 9.8 1.0 C1B B:HEM501 3.0 10.4 1.0 CE1 B:HIS326 3.0 10.6 1.0 C4B B:HEM501 3.0 10.7 1.0 C1A B:HEM501 3.1 9.6 1.0 CD2 B:HIS326 3.1 10.1 1.0 C1C B:HEM501 3.1 10.8 1.0 CHB B:HEM501 3.3 10.9 1.0 CHD B:HEM501 3.4 10.9 1.0 CHA B:HEM501 3.4 9.9 1.0 CHC B:HEM501 3.4 10.2 1.0 O B:HOH696 3.7 16.1 0.5 ND1 B:HIS326 4.2 10.8 1.0 C3D B:HEM501 4.2 10.2 1.0 CG B:HIS326 4.2 9.4 1.0 C3A B:HEM501 4.2 10.2 1.0 C2D B:HEM501 4.2 11.7 1.0 C3C B:HEM501 4.2 10.6 1.0 C2A B:HEM501 4.2 9.9 1.0 C2C B:HEM501 4.2 10.4 1.0 C2B B:HEM501 4.3 11.3 1.0 C3B B:HEM501 4.3 10.7 1.0 NH1 B:ARG342 4.3 12.3 1.0 CZ B:ARG342 5.0 12.7 1.0

L.J.Williams, R.L.Owen, J.A.R.Worrall, M.A.Hough. Dtpaa Y389F 8 Fs 10 Microjoules Xfel Pulse Data Collection To Be Published.