Zinc 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:

Arsenic	(As)	2 atoms
Calcium	(Ca)	2 atoms

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

Zinc 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 Zinc with other atoms in the Zn 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:Zn1101 b:38.8 occ:1.00 NE2 A:HIS104 2.0 28.4 1.0 O A:ACT1117 2.1 46.8 1.0 NE2 A:HIS108 2.1 37.6 1.0 OE1 A:GLU205 2.2 44.5 1.0 OXT A:ACT1117 2.3 44.0 1.0 OE2 A:GLU205 2.4 43.2 1.0 C A:ACT1117 2.6 37.2 1.0 CD A:GLU205 2.6 28.1 1.0 CE1 A:HIS104 2.9 28.5 1.0 CE1 A:HIS108 3.0 33.2 1.0 CD2 A:HIS104 3.1 28.5 1.0 CD2 A:HIS108 3.1 28.2 1.0 CH3 A:ACT1117 4.0 28.2 1.0 ND1 A:HIS104 4.1 28.8 1.0 CG A:GLU205 4.1 28.2 1.0 ND1 A:HIS108 4.2 28.4 1.0 CG A:HIS104 4.2 29.9 1.0 CE1 A:TYR906 4.2 27.7 1.0 CG A:HIS108 4.2 28.2 1.0 O A:HOH1573 4.3 57.6 1.0 OH A:TYR906 4.3 34.8 1.0 CG2 A:VAL202 4.4 28.6 1.0 O3 A:GOL1112 4.4 32.2 1.0 C2 A:GOL1112 4.5 50.5 1.0 CZ A:TYR906 4.7 30.7 1.0 O2 A:GOL1106 4.7 64.6 1.0 NE2 A:GLN107 4.7 29.7 1.0 CB A:GLU205 4.9 28.4 1.0 C3 A:GOL1112 4.9 46.1 1.0 OE1 A:GLN107 5.0 39.5 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn1101 b:42.4 occ:1.00 OXT B:ACT1115 2.1 43.7 1.0 NE2 B:HIS108 2.1 42.3 1.0 NE2 B:HIS104 2.1 28.5 1.0 OE1 B:GLU205 2.2 44.3 1.0 O B:ACT1115 2.2 46.0 1.0 OE2 B:GLU205 2.3 39.2 1.0 C B:ACT1115 2.5 42.6 1.0 CD B:GLU205 2.6 36.5 1.0 CE1 B:HIS108 3.0 35.2 1.0 CD2 B:HIS104 3.1 28.6 1.0 CE1 B:HIS104 3.1 28.7 1.0 CD2 B:HIS108 3.1 28.2 1.0 CH3 B:ACT1115 4.0 28.1 1.0 CE1 B:TYR906 4.1 28.3 1.0 CG B:GLU205 4.1 35.3 1.0 C3 B:GOL1109 4.2 40.2 1.0 ND1 B:HIS108 4.2 28.0 1.0 ND1 B:HIS104 4.2 28.8 1.0 CG B:HIS104 4.2 28.8 1.0 CG B:HIS108 4.3 35.4 1.0 OH B:TYR906 4.3 37.1 1.0 O3 B:GOL1109 4.3 28.4 1.0 CG2 B:VAL202 4.4 28.6 1.0 CZ B:TYR906 4.6 33.8 1.0 O2 B:GOL1109 4.7 52.1 1.0 OE1 B:GLN107 4.7 36.6 1.0 O1 B:GOL1106 4.8 61.0 1.0 O3 B:GOL1106 4.8 57.1 1.0 NE2 B:GLN107 4.8 28.3 1.0 CB B:GLU205 4.8 28.7 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.