Arsenic in PDB 4rpu: Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60

The structure of Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60, PDB code: 4rpu was solved by S.M.Mo, W.G.Liang, J.V.King, J.Wijaya, C.M.Koehler, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.85 / 2.27
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	245.624, 85.490, 158.214, 90.00, 127.53, 90.00
R / Rfree (%)	17.5 / 20.8

The structure of Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Arsenic atom in the Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60 (pdb code 4rpu). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60, PDB code: 4rpu:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60 within 5.0Å range: probe atom residue distance (Å) B Occ A:As112 b:68.2 occ:1.00 AS A:CAS112 0.0 68.2 1.0 CE2 A:CAS112 1.9 42.9 1.0 CE1 A:CAS112 2.0 93.4 1.0 SG A:CAS112 2.3 44.2 1.0 CB A:CAS112 3.2 28.4 1.0 CA A:CAS112 3.5 28.2 1.0 CG A:ASP121 3.7 45.1 1.0 CB A:ASP121 3.8 38.9 1.0 OD2 A:ASP121 3.9 53.5 1.0 OD1 A:ASP121 3.9 44.4 1.0 NE2 A:GLN179 4.0 27.9 1.0 CA A:ASP121 4.1 27.6 1.0 O A:CAS112 4.3 32.9 1.0 N A:ASP121 4.3 28.3 1.0 C A:CAS112 4.4 32.9 1.0 OE2 A:GLU901 4.5 31.3 1.0 N A:CAS112 4.5 28.2 1.0 OE2 A:GLU180 4.5 29.6 1.0 OD1 A:ASP176 4.7 31.7 1.0 O A:LEU111 4.8 27.9 1.0 CG A:ASP176 4.8 28.8 1.0 CG A:GLU180 4.8 28.3 1.0 CD A:GLU180 4.8 28.1 1.0 C A:LEU111 5.0 28.1 1.0 CD A:GLN179 5.0 32.7 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60 within 5.0Å range: probe atom residue distance (Å) B Occ B:As112 b:61.0 occ:1.00 AS B:CAS112 0.0 61.0 1.0 CE2 B:CAS112 1.9 40.5 1.0 CE1 B:CAS112 1.9 92.3 1.0 SG B:CAS112 2.3 42.7 1.0 CB B:CAS112 3.2 28.1 1.0 CA B:CAS112 3.4 27.7 1.0 CG B:ASP121 3.8 52.9 1.0 CB B:ASP121 3.9 42.1 1.0 CA B:ASP121 4.0 32.1 1.0 OD1 B:ASP121 4.0 48.9 1.0 N B:ASP121 4.1 30.4 1.0 NE2 B:GLN179 4.2 28.9 1.0 OD2 B:ASP121 4.2 60.0 1.0 O B:CAS112 4.2 39.2 1.0 C B:CAS112 4.3 27.8 1.0 N B:CAS112 4.4 27.8 1.0 OD1 B:ASP176 4.5 29.4 1.0 O B:LEU111 4.6 27.6 1.0 O B:HOH1373 4.7 36.6 1.0 OE2 B:GLU901 4.7 39.5 1.0 CG B:ASP176 4.7 30.5 1.0 OE2 B:GLU180 4.8 27.8 1.0 C B:LEU111 4.8 27.8 1.0 CG B:GLU180 4.8 28.0 1.0 O B:HOH1304 4.9 30.6 1.0 CD B:GLU180 5.0 27.9 1.0 CB B:ASP176 5.0 28.1 1.0

S.M.Mo, W.G.Liang, J.V.King, J.Wijaya, C.M.Koehler, W.J.Tang. Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60 To Be Published.