Arsenic in PDB 8hfv: Crystal Structure of Ctsl in Complex with K777

The structure of Crystal Structure of Ctsl in Complex with K777, PDB code: 8hfv was solved by H.Wang, M.Shao, L.Sun, H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.68 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.15, 38.3, 147.389, 90, 103.97, 90
R / Rfree (%)	19.7 / 24.2

The structure of Crystal Structure of Ctsl in Complex with K777 also contains other interesting chemical elements:

Zinc

(Zn)

28 atoms

The binding sites of Arsenic atom in the Crystal Structure of Ctsl in Complex with K777 (pdb code 8hfv). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Crystal Structure of Ctsl in Complex with K777, PDB code: 8hfv:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:As308 b:25.4 occ:1.00 AS A:CAC308 0.0 25.4 1.0 O2 A:CAC308 1.7 19.8 1.0 O1 A:CAC308 1.7 25.3 1.0 C2 A:CAC308 2.0 25.7 1.0 C1 A:CAC308 2.0 16.5 1.0 ZN A:ZN302 3.2 23.7 1.0 ZN A:ZN303 3.4 23.7 1.0 O A:HOH422 3.5 19.6 1.0 OD1 A:ASP137 3.8 26.5 1.0 O2 A:CAC309 4.1 32.5 1.0 O A:GLY139 4.4 23.5 1.0 NE2 A:HIS140 4.5 26.1 1.0 OD2 A:ASP137 4.5 20.3 1.0 CG A:ASP137 4.6 22.5 1.0 O A:HOH453 4.6 18.3 1.0 OD2 A:ASP160 4.7 28.6 1.0 OD2 A:ASP162 4.7 21.9 1.0 CA A:GLY139 4.7 24.0 1.0 CE1 A:HIS140 4.8 23.0 1.0 C A:GLY139 4.9 20.8 1.0

Arsenic binding site 2 out of 8 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:As309 b:43.0 occ:1.00 AS A:CAC309 0.0 43.0 1.0 O2 A:CAC309 1.7 32.5 1.0 O1 A:CAC309 1.7 33.6 1.0 C2 A:CAC309 2.0 33.8 1.0 C1 A:CAC309 2.0 24.5 1.0 ZN A:ZN303 3.3 23.7 1.0 O A:HOH404 3.8 21.2 1.0 CB A:ASP162 4.2 19.3 1.0 OD2 A:ASP162 4.6 21.9 1.0 O1 A:CAC308 4.8 25.3 1.0 ZN A:ZN304 4.8 29.9 1.0 C2 A:CAC308 4.8 25.7 1.0 CG A:ASP162 5.0 22.4 1.0

Arsenic binding site 3 out of 8 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ B:As308 b:27.7 occ:1.00 AS B:CAC308 0.0 27.7 1.0 O2 B:CAC308 1.7 22.0 1.0 O1 B:CAC308 1.7 18.5 1.0 C1 B:CAC308 2.0 28.4 1.0 C2 B:CAC308 2.0 18.4 1.0 ZN B:ZN302 3.2 22.7 1.0 ZN B:ZN303 3.4 22.4 1.0 O B:HOH411 3.6 17.8 1.0 O B:HOH458 3.8 23.7 1.0 OD1 B:ASP137 3.8 25.3 1.0 O2 B:CAC309 4.1 31.3 1.0 OD2 B:ASP137 4.4 19.5 1.0 CG B:ASP137 4.4 22.9 1.0 O B:HOH459 4.5 16.6 1.0 O B:GLY139 4.5 25.6 1.0 O B:HOH417 4.5 26.0 1.0 NE2 B:HIS140 4.5 22.6 1.0 OD2 B:ASP162 4.6 17.7 1.0 CA B:GLY139 4.7 26.1 1.0 CE1 B:HIS140 4.9 21.3 1.0 OD2 B:ASP160 4.9 28.3 1.0 O B:HOH493 4.9 30.9 1.0 C B:GLY139 5.0 21.1 1.0

Arsenic binding site 4 out of 8 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ B:As309 b:39.5 occ:1.00 AS B:CAC309 0.0 39.5 1.0 O2 B:CAC309 1.7 31.3 1.0 O1 B:CAC309 1.7 26.8 1.0 C2 B:CAC309 2.0 30.5 1.0 C1 B:CAC309 2.0 31.1 1.0 ZN B:ZN303 3.2 22.4 1.0 O B:HOH410 3.5 19.4 1.0 O B:HOH417 3.7 26.0 1.0 CB B:ASP162 4.2 16.0 1.0 O B:HOH493 4.2 30.9 1.0 OD2 B:ASP162 4.4 17.7 1.0 O2 B:CAC308 4.7 22.0 1.0 ZN B:ZN304 4.8 29.9 1.0 CG B:ASP162 4.9 23.4 1.0 C1 B:CAC308 4.9 28.4 1.0

Arsenic binding site 5 out of 8 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ C:As308 b:42.4 occ:1.00 AS C:CAC308 0.0 42.4 1.0 O1 C:CAC308 1.7 30.0 1.0 O2 C:CAC308 1.7 28.2 1.0 C2 C:CAC308 2.0 27.3 1.0 C1 C:CAC308 2.0 29.4 1.0 ZN C:ZN303 3.2 21.9 1.0 O C:HOH423 3.6 33.0 1.0 O C:HOH448 4.0 30.0 1.0 CB C:ASP162 4.3 14.7 1.0 O C:HOH480 4.4 25.8 1.0 OD2 C:ASP162 4.6 18.6 1.0 C2 C:CAC309 4.6 29.0 1.0 ZN C:ZN304 4.7 27.7 1.0 O1 C:CAC309 4.8 22.2 1.0 O C:HOH407 4.9 26.4 1.0

Arsenic binding site 6 out of 8 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ C:As309 b:26.1 occ:1.00 AS C:CAC309 0.0 26.1 1.0 O2 C:CAC309 1.7 19.7 1.0 O1 C:CAC309 1.7 22.2 1.0 C2 C:CAC309 2.0 29.0 1.0 C1 C:CAC309 2.0 15.3 1.0 ZN C:ZN302 3.3 19.6 1.0 ZN C:ZN303 3.3 21.9 1.0 O C:HOH414 3.4 24.4 1.0 O C:HOH406 3.5 26.2 1.0 OD1 C:ASP137 3.9 17.4 1.0 O2 C:CAC308 4.0 28.2 1.0 NE2 C:HIS140 4.4 20.3 1.0 O C:GLY139 4.5 24.8 1.0 O C:HOH425 4.5 18.2 1.0 O C:HOH448 4.6 30.0 1.0 CA C:GLY139 4.6 21.2 1.0 CG C:ASP137 4.7 21.1 1.0 OD2 C:ASP162 4.7 18.6 1.0 OD2 C:ASP137 4.7 18.2 1.0 C C:GLY139 4.9 21.5 1.0 CD2 C:HIS140 4.9 17.5 1.0 CE1 C:HIS140 5.0 19.2 1.0 OD2 C:ASP160 5.0 25.8 1.0

Arsenic binding site 7 out of 8 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ D:As308 b:25.2 occ:1.00 AS D:CAC308 0.0 25.2 1.0 O1 D:CAC308 1.7 21.9 1.0 O2 D:CAC308 1.7 26.2 1.0 C2 D:CAC308 2.0 13.6 1.0 C1 D:CAC308 2.0 29.6 1.0 ZN D:ZN302 3.2 22.1 1.0 O D:HOH401 3.4 32.2 1.0 ZN D:ZN303 3.4 23.0 1.0 O D:HOH447 3.8 19.7 1.0 OD1 D:ASP137 3.9 20.6 1.0 O2 D:CAC309 4.0 27.8 1.0 O D:HOH429 4.4 22.4 1.0 NE2 D:HIS140 4.4 21.7 1.0 O D:GLY139 4.4 26.8 1.0 OD2 D:ASP137 4.5 21.6 1.0 CG D:ASP137 4.6 22.2 1.0 OD2 D:ASP162 4.7 19.3 1.0 CA D:GLY139 4.8 24.0 1.0 CE1 D:HIS140 4.8 24.7 1.0 C D:GLY139 5.0 25.4 1.0

Arsenic binding site 8 out of 8 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ D:As309 b:43.4 occ:1.00 AS D:CAC309 0.0 43.4 1.0 O2 D:CAC309 1.7 27.8 1.0 O1 D:CAC309 1.7 42.9 1.0 C2 D:CAC309 2.0 38.1 1.0 C1 D:CAC309 2.0 29.8 1.0 ZN D:ZN303 3.2 23.0 1.0 O D:HOH406 3.7 33.3 1.0 CB D:ASP162 4.3 17.5 1.0 O D:HOH490 4.4 33.0 1.0 OD2 D:ASP162 4.7 19.3 1.0 ZN D:ZN304 4.7 30.9 1.0 O D:HOH458 4.7 33.0 1.0 O2 D:CAC308 4.7 26.2 1.0 C1 D:CAC308 4.8 29.6 1.0

H.Wang, M.Shao, L.Sun, H.Yang. Crystal Structure of Ctsl in Complex with K777 To Be Published.