Calcium 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
Arsenic	(As)	2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Presequence Protease in Complex with Inhibitor Mitoblock-60, PDB code: 4rpu:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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 B:Ca1116 b:41.4 occ:1.00 OD1 B:ASN690 2.3 40.2 1.0 O B:HOH1332 2.5 42.3 1.0 O B:HOH1376 2.6 41.2 1.0 O B:HOH1333 2.7 42.5 1.0 CG B:ASN690 3.4 39.7 1.0 ND2 B:ASN690 3.9 39.8 1.0 O B:ASN689 4.6 42.2 1.0 CB B:ASN690 4.7 39.1 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca1117 b:54.2 occ:1.00 O B:LEU629 2.3 37.4 1.0 O B:HOH1363 2.4 44.9 1.0 OE1 B:GLU634 2.5 36.4 1.0 O B:HOH1380 2.6 38.2 1.0 OE2 B:GLU634 3.1 36.2 1.0 CD B:GLU634 3.2 36.1 1.0 C B:LEU629 3.6 37.4 1.0 O B:HOH1384 4.1 50.3 1.0 O B:HOH1367 4.3 56.4 1.0 CA B:LEU630 4.4 41.9 1.0 N B:ASP631 4.4 36.4 1.0 N B:LEU630 4.4 37.0 1.0 CA B:LEU629 4.6 38.0 1.0 CG B:GLU634 4.7 35.6 1.0 CB B:LEU629 4.7 39.8 1.0 C B:LEU630 4.8 36.5 1.0 OD2 B:ASP631 5.0 36.3 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.