Iron in PDB 9epk: Dtpaa Y389F 24 Fs 100 Microjoules Xfel Pulse Data Collection

The structure of Dtpaa Y389F 24 Fs 100 Microjoules Xfel Pulse Data Collection, PDB code: 9epk 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 / 1.30
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 (%)	16.1 / 17.8

The binding sites of Iron atom in the Dtpaa Y389F 24 Fs 100 Microjoules Xfel Pulse Data Collection (pdb code 9epk). 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 24 Fs 100 Microjoules Xfel Pulse Data Collection, PDB code: 9epk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dtpaa Y389F 24 Fs 100 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 24 Fs 100 Microjoules Xfel Pulse Data Collection within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.8 occ:1.00 FE A:HEM501 0.0 10.8 1.0 NA A:HEM501 2.0 10.3 1.0 ND A:HEM501 2.0 10.5 1.0 NB A:HEM501 2.1 11.0 1.0 NC A:HEM501 2.1 10.8 1.0 NE2 A:HIS326 2.1 11.3 1.0 O A:HOH724 2.3 12.8 1.0 C1D A:HEM501 3.0 11.4 1.0 C1B A:HEM501 3.0 10.8 1.0 C4D A:HEM501 3.0 10.1 1.0 C4A A:HEM501 3.0 10.3 1.0 C1A A:HEM501 3.0 10.5 1.0 C4C A:HEM501 3.1 11.0 1.0 C4B A:HEM501 3.1 11.1 1.0 CE1 A:HIS326 3.1 11.7 1.0 C1C A:HEM501 3.1 11.1 1.0 CD2 A:HIS326 3.1 10.7 1.0 CHA A:HEM501 3.4 10.7 1.0 CHB A:HEM501 3.4 11.1 1.0 CHD A:HEM501 3.4 11.7 1.0 CHC A:HEM501 3.4 11.3 1.0 ND1 A:HIS326 4.2 11.8 1.0 CG A:HIS326 4.3 11.4 1.0 C2A A:HEM501 4.3 10.1 1.0 C3D A:HEM501 4.3 10.6 1.0 C3A A:HEM501 4.3 11.3 1.0 C2D A:HEM501 4.3 11.3 1.0 C2B A:HEM501 4.3 11.2 1.0 NH1 A:ARG342 4.3 12.0 1.0 C2C A:HEM501 4.3 12.1 1.0 C3B A:HEM501 4.3 11.7 1.0 C3C A:HEM501 4.3 11.6 1.0 O A:HOH635 4.4 15.2 1.0 OD1 A:ASP239 4.6 12.1 1.0 CD A:ARG342 4.9 12.1 1.0

Iron binding site 2 out of 2 in the Dtpaa Y389F 24 Fs 100 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 24 Fs 100 Microjoules Xfel Pulse Data Collection within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:11.1 occ:1.00 FE B:HEM501 0.0 11.1 1.0 ND B:HEM501 2.0 10.7 1.0 NA B:HEM501 2.0 11.3 1.0 NC B:HEM501 2.0 10.9 1.0 NB B:HEM501 2.1 11.6 1.0 NE2 B:HIS326 2.1 10.5 1.0 O B:HOH707 2.2 14.1 0.5 C1B B:HEM501 3.0 12.3 1.0 C1D B:HEM501 3.0 11.2 1.0 C4D B:HEM501 3.0 11.6 1.0 C4A B:HEM501 3.0 12.1 1.0 C1A B:HEM501 3.0 11.9 1.0 C4C B:HEM501 3.0 11.5 1.0 C4B B:HEM501 3.1 11.1 1.0 CE1 B:HIS326 3.1 11.4 1.0 C1C B:HEM501 3.1 10.9 1.0 CD2 B:HIS326 3.1 11.4 1.0 CHB B:HEM501 3.4 12.9 1.0 CHA B:HEM501 3.4 11.3 1.0 CHD B:HEM501 3.4 11.0 1.0 CHC B:HEM501 3.4 10.5 1.0 O B:HOH707 3.5 17.0 0.5 ND1 B:HIS326 4.2 12.4 1.0 CG B:HIS326 4.2 11.3 1.0 C2B B:HEM501 4.2 13.1 1.0 C2D B:HEM501 4.2 11.5 1.0 C3D B:HEM501 4.2 11.5 1.0 C2A B:HEM501 4.2 11.5 1.0 C3A B:HEM501 4.3 12.4 1.0 C2C B:HEM501 4.3 10.7 1.0 C3B B:HEM501 4.3 11.7 1.0 C3C B:HEM501 4.3 11.2 1.0 NH1 B:ARG342 4.3 13.3 1.0 CD B:ARG342 5.0 12.6 1.0

L.J.Williams, R.L.Owen, J.A.R.Worrall, M.A.Hough. Dtpaa Y389F 22 Fs 100 Microjoules Xfel Pulse Data Collection To Be Published.