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

Protein crystallography data

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

Other elements in 4rpu:

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

Arsenic Binding Sites:

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 4rpu

Go back to Arsenic Binding Sites List in 4rpu
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 4rpu

Go back to Arsenic Binding Sites List in 4rpu
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

Reference:

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.
Page generated: Sat Dec 12 01:45:06 2020

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