Arsenic in PDB 4nge: Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)

The structure of Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40), PDB code: 4nge was solved by J.V.King, W.G.Liang, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.62 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	247.275, 86.183, 158.611, 90.00, 127.56, 90.00
R / Rfree (%)	19.1 / 23.2

The structure of Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Arsenic atom in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40) (pdb code 4nge). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40), PDB code: 4nge:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)


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 Amyloid-Beta (1-40) within 5.0Å range: probe atom residue distance (Å) B Occ A:As34 b:0.3 occ:1.00 AS A:CAS34 0.0 0.3 1.0 CE2 A:CAS34 1.9 47.5 1.0 CE1 A:CAS34 1.9 58.1 1.0 SG A:CAS34 2.3 84.7 1.0 CB A:CAS34 3.3 44.6 1.0 OG1 A:THR63 3.7 35.9 1.0 OG A:SER56 3.8 56.4 1.0 O A:CAS34 4.2 46.9 1.0 C A:CAS34 4.3 52.7 1.0 O A:LEU62 4.4 32.5 1.0 CA A:CAS34 4.4 50.4 1.0 C A:LEU62 4.5 33.0 1.0 N A:LEU62 4.6 40.1 1.0 C A:PHE61 4.7 43.9 1.0 CA A:LEU62 4.8 36.5 1.0 N A:THR63 4.8 37.3 1.0 N A:GLU35 5.0 54.6 1.0

Arsenic binding site 2 out of 5 in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)


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 Amyloid-Beta (1-40) within 5.0Å range: probe atom residue distance (Å) B Occ A:As112 b:0.9 occ:1.00 AS A:CAS112 0.0 0.9 1.0 CE2 A:CAS112 1.9 60.4 1.0 CE1 A:CAS112 1.9 70.0 1.0 SG A:CAS112 2.3 54.3 1.0 CB A:CAS112 3.3 44.2 1.0 OE2 A:GLU180 3.6 50.4 1.0 CA A:CAS112 3.7 48.1 1.0 CG A:GLU180 3.8 44.9 1.0 CD A:GLU180 3.9 54.6 1.0 NE2 A:GLN179 3.9 41.2 1.0 CG A:ASP121 4.1 78.0 1.0 OD2 A:ASP121 4.1 73.5 1.0 OD1 A:ASP121 4.3 54.6 1.0 N A:CAS112 4.5 46.8 1.0 CB A:ASP121 4.5 48.9 1.0 O A:LEU111 4.6 41.6 1.0 O A:HIS108 4.6 44.5 1.0 CA A:ASP121 4.7 53.2 1.0 OE1 A:GLU180 4.7 69.3 1.0 C A:LEU111 4.8 44.1 1.0 C A:CAS112 4.9 46.5 1.0 CD A:GLN179 4.9 44.7 1.0 O A:CAS112 5.0 46.4 1.0

Arsenic binding site 3 out of 5 in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40) within 5.0Å range: probe atom residue distance (Å) B Occ A:As171 b:0.2 occ:1.00 AS A:CAS171 0.0 0.2 1.0 CE2 A:CAS171 1.9 60.3 1.0 CE1 A:CAS171 1.9 47.8 1.0 SG A:CAS171 2.3 62.9 1.0 CB A:CAS171 3.3 33.5 1.0 CA A:CAS171 3.9 38.5 1.0 N A:CAS171 4.7 50.9 1.0 O A:SER114 4.9 35.3 1.0 CG A:GLN115 4.9 55.5 1.0 CA A:GLN115 5.0 44.2 1.0

Arsenic binding site 4 out of 5 in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40) within 5.0Å range: probe atom residue distance (Å) B Occ A:As556 b:0.8 occ:1.00 AS A:CAS556 0.0 0.8 1.0 CE1 A:CAS556 2.0 80.7 1.0 CE2 A:CAS556 2.0 0.5 1.0 SG A:CAS556 2.2 0.4 1.0 CB A:CAS556 3.0 62.0 1.0 N A:CAS556 4.0 64.1 1.0 CA A:CAS556 4.0 60.2 1.0 CD A:PRO118 4.3 47.7 1.0 CG A:PRO118 4.3 42.3 1.0 CB A:CYS119 4.4 45.3 1.0 N A:CYS119 4.7 47.5 1.0 O A:ASP553 4.7 67.3 1.0 CA A:CYS119 5.0 40.1 1.0

Arsenic binding site 5 out of 5 in the Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Human Presequence Protease in Complex with Amyloid-Beta (1-40) within 5.0Å range: probe atom residue distance (Å) B Occ D:As556 b:0.4 occ:1.00 AS D:CAS556 0.0 0.4 1.0 CE2 D:CAS556 1.9 61.5 1.0 CE1 D:CAS556 1.9 56.1 1.0 SG D:CAS556 2.3 84.3 1.0 CB D:CAS556 3.3 47.0 1.0 CB D:CYS119 3.9 45.4 1.0 CG D:PRO118 3.9 27.3 1.0 CD D:PRO118 4.0 41.3 1.0 N D:CYS119 4.0 41.5 1.0 O D:ASP553 4.3 60.0 1.0 CA D:CYS119 4.3 40.3 1.0 CA D:CAS556 4.5 60.9 1.0 N D:CAS556 4.5 64.7 1.0 N D:PRO118 4.6 37.1 1.0 C D:PRO118 4.8 40.2 1.0 SG D:CYS119 4.9 67.9 1.0

J.V.King, W.G.Liang, K.P.Scherpelz, A.B.Schilling, S.C.Meredith, W.J.Tang. Molecular Basis of Substrate Recognition and Degradation By Human Presequence Protease. Structure V. 22 996 2014.
ISSN: ISSN 0969-2126
PubMed: 24931469
DOI: 10.1016/J.STR.2014.05.003