Zinc 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:

Arsenic

(As)

8 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Zinc 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 Zinc atom.
In total 28 binding sites of Zinc where determined in the Crystal Structure of Ctsl in Complex with K777, PDB code: 8hfv:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 28 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:44.8 occ:1.00 O A:HOH446 2.0 41.8 1.0 OE2 A:GLU9 2.8 38.1 1.0 OE1 A:GLU9 2.9 34.1 1.0 CD A:GLU9 3.2 33.9 1.0 O A:HOH529 3.7 32.8 1.0 O A:HOH406 4.2 26.4 1.0 CG A:GLU9 4.7 22.4 1.0

Zinc binding site 2 out of 28 in the Crystal Structure of Ctsl in Complex with K777


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 Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:23.7 occ:1.00 O2 A:CAC308 1.9 19.8 1.0 OD2 A:ASP137 1.9 20.3 1.0 O A:HOH453 2.2 18.3 1.0 NE2 A:HIS140 2.3 26.1 1.0 CG A:ASP137 2.6 22.5 1.0 OD1 A:ASP137 2.7 26.5 1.0 CE1 A:HIS140 3.0 23.0 1.0 AS A:CAC308 3.2 25.4 1.0 CD2 A:HIS140 3.3 19.3 1.0 O A:ASP155 3.8 29.4 1.0 C1 A:CAC308 3.9 16.5 1.0 O1 A:CAC308 3.9 25.3 1.0 N A:SER157 4.1 23.0 1.0 CB A:ASP137 4.1 20.8 1.0 ND1 A:HIS140 4.2 21.0 1.0 O A:HOH422 4.3 19.6 1.0 CG A:HIS140 4.4 20.2 1.0 CB A:SER157 4.4 22.7 1.0 CA A:CYS156 4.4 23.6 1.0 C A:CYS156 4.7 26.7 1.0 C A:ASP155 4.7 26.3 1.0 C2 A:CAC308 4.8 25.7 1.0 CA A:SER157 4.9 24.2 1.0 O A:ASP160 4.9 19.9 1.0 O A:GLY139 5.0 23.5 1.0

Zinc binding site 3 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:23.7 occ:1.00 O2 A:CAC309 1.9 32.5 1.0 O1 A:CAC308 1.9 25.3 1.0 OD2 A:ASP162 2.0 21.9 1.0 CG A:ASP162 3.0 22.4 1.0 AS A:CAC309 3.3 43.0 1.0 CB A:ASP162 3.3 19.3 1.0 AS A:CAC308 3.4 25.4 1.0 O A:HOH422 3.4 19.6 1.0 CA A:GLY139 3.7 24.0 1.0 C1 A:CAC309 3.8 24.5 1.0 C2 A:CAC308 3.9 25.7 1.0 C12 A:0IW310 4.0 24.6 1.0 OD1 A:ASP162 4.1 22.1 1.0 C2 A:CAC309 4.3 33.8 1.0 C1 A:CAC308 4.3 16.5 1.0 N A:GLY139 4.3 20.0 1.0 C22 A:0IW310 4.6 20.9 1.0 OD1 A:ASP137 4.6 26.5 1.0 O1 A:CAC309 4.6 33.6 1.0 O2 A:CAC308 4.7 19.8 1.0 O A:GLY139 4.8 23.5 1.0 C A:GLY139 4.8 20.8 1.0 CA A:ASP162 4.8 20.0 1.0 C61 A:0IW310 4.8 24.3 1.0

Zinc binding site 4 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:29.9 occ:1.00 O A:HOH466 2.0 21.4 1.0 OD1 A:ASP160 2.0 21.7 1.0 O A:HOH404 2.2 21.2 1.0 O A:HOH419 2.5 24.6 1.0 CG A:ASP160 2.9 23.5 1.0 OD2 A:ASP160 3.1 28.6 1.0 O1 A:CAC309 3.9 33.6 1.0 O A:HOH554 4.0 35.4 1.0 O A:MET161 4.2 22.8 1.0 CB A:ASP160 4.3 25.8 1.0 O2 A:CAC309 4.3 32.5 1.0 O A:HOH422 4.7 19.6 1.0 AS A:CAC309 4.8 43.0 1.0 CA A:ASP160 4.8 22.9 1.0 C A:ASP160 4.9 24.8 1.0 N A:MET161 4.9 21.9 1.0 C A:MET161 4.9 21.6 1.0 C2 A:CAC308 4.9 25.7 1.0

Zinc binding site 5 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn305 b:67.8 occ:1.00 OE2 A:GLU96 2.3 52.0 1.0 OE1 A:GLU92 2.9 46.8 1.0 CD A:GLU96 3.2 55.9 1.0 OE1 A:GLU96 3.5 70.4 1.0 CD A:GLU92 4.0 44.0 1.0 OE2 A:GLU92 4.4 45.5 1.0 CG A:GLU96 4.5 43.4 1.0 NZ A:LYS99 4.7 48.1 1.0

Zinc binding site 6 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn306 b:40.7 occ:0.60 OD2 A:ASP71 1.9 24.0 1.0 O A:HOH462 2.0 23.2 1.0 OD2 A:ASP114 2.0 38.2 1.0 CG A:ASP114 2.5 27.7 1.0 OD1 A:ASP114 2.6 31.5 1.0 O A:HOH507 2.8 36.5 1.0 CG A:ASP71 3.1 20.4 1.0 O A:HOH484 3.2 18.8 1.0 O A:HOH549 3.5 34.8 1.0 OD1 A:ASP71 3.7 19.0 1.0 CB A:ASP114 3.8 17.9 1.0 CB A:ASP71 4.2 14.7 1.0 O A:HOH534 4.3 38.5 1.0 O A:HOH499 4.6 21.6 1.0 CE2 A:PHE112 4.6 19.8 1.0 CB A:SER216 4.6 16.6 1.0 O A:HOH416 4.7 33.1 1.0 CA A:ASP114 4.8 22.5 1.0 OG A:SER216 4.8 19.9 1.0 O A:HOH410 4.9 23.7 1.0

Zinc binding site 7 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn307 b:24.6 occ:0.40 OE1 A:GLU86 1.9 24.7 1.0 OE1 A:GLU50 2.0 21.9 1.0 CD A:GLU86 2.4 27.9 1.0 O A:HOH560 2.5 27.8 1.0 OE2 A:GLU86 2.6 26.1 1.0 CD A:GLU50 2.8 21.3 1.0 OE2 A:GLU50 2.9 21.1 1.0 O A:HOH544 3.0 30.7 1.0 CD A:LYS17 3.1 27.6 1.0 NZ A:LYS17 3.6 25.7 1.0 CG A:GLU86 3.7 20.5 1.0 CE A:LYS17 3.8 32.5 1.0 CE2 A:PHE28 3.8 22.7 1.0 CG A:LYS17 3.9 23.6 1.0 O A:LEU48 4.0 20.7 1.0 CG A:GLU50 4.2 18.5 1.0 O A:HOH434 4.2 20.6 1.0 O A:HOH447 4.4 31.3 1.0 CB A:TYR91 4.4 26.0 1.0 CB A:LYS17 4.4 19.7 1.0 CD2 A:PHE28 4.5 22.1 1.0 CZ A:PHE28 4.6 19.2 1.0 N A:GLU50 4.6 17.9 1.0 CB A:GLU86 4.6 19.7 1.0 OG A:SER47 4.7 31.2 1.0 CB A:GLU50 4.7 17.1 1.0 CG A:TYR91 5.0 21.6 1.0

Zinc binding site 8 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:46.8 occ:1.00 O B:HOH534 2.2 39.0 1.0 OE2 B:GLU9 2.7 37.4 1.0 O B:HOH431 2.8 36.4 1.0 CD B:GLU9 3.5 34.6 1.0 OE1 B:GLU9 3.6 37.0 1.0 O B:HOH412 4.5 27.9 1.0 O B:HOH559 4.9 37.9 1.0 CG B:GLU9 4.9 26.0 1.0

Zinc binding site 9 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:22.7 occ:1.00 O1 B:CAC308 1.9 18.5 1.0 OD2 B:ASP137 1.9 19.5 1.0 O B:HOH459 2.1 16.6 1.0 NE2 B:HIS140 2.3 22.6 1.0 CG B:ASP137 2.7 22.9 1.0 OD1 B:ASP137 2.8 25.3 1.0 CE1 B:HIS140 3.1 21.3 1.0 AS B:CAC308 3.2 27.7 1.0 CD2 B:HIS140 3.3 17.9 1.0 C2 B:CAC308 3.6 18.4 1.0 O2 B:CAC308 3.9 22.0 1.0 O B:HOH411 4.0 17.8 1.0 O B:ASP155 4.0 30.0 1.0 CB B:ASP137 4.1 19.7 1.0 ND1 B:HIS140 4.2 23.8 1.0 N B:SER157 4.3 26.0 1.0 CG B:HIS140 4.4 25.3 1.0 CB B:SER157 4.5 25.0 1.0 CA B:CYS156 4.5 21.9 1.0 O B:HOH458 4.7 23.7 1.0 C B:CYS156 4.8 27.9 1.0 C1 B:CAC308 4.8 28.4 1.0 C B:ASP155 4.9 29.0 1.0

Zinc binding site 10 out of 28 in the Crystal Structure of Ctsl in Complex with K777


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Ctsl in Complex with K777 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:22.4 occ:1.00 OD2 B:ASP162 1.9 17.7 1.0 O2 B:CAC308 1.9 22.0 1.0 O2 B:CAC309 1.9 31.3 1.0 CG B:ASP162 3.0 23.4 1.0 AS B:CAC309 3.2 39.5 1.0 AS B:CAC308 3.4 27.7 1.0 CB B:ASP162 3.5 16.0 1.0 O B:HOH458 3.5 23.7 1.0 C1 B:CAC309 3.6 31.1 1.0 O B:HOH417 3.8 26.0 1.0 CA B:GLY139 3.8 26.1 1.0 C1 B:CAC308 4.0 28.4 1.0 C12 B:0IW310 4.0 22.0 1.0 OD1 B:ASP162 4.1 18.0 1.0 C2 B:CAC308 4.2 18.4 1.0 N B:GLY139 4.3 18.0 1.0 C2 B:CAC309 4.3 30.5 1.0 C61 B:0IW310 4.6 21.3 1.0 O1 B:CAC309 4.6 26.8 1.0 OD1 B:ASP137 4.6 25.3 1.0 O1 B:CAC308 4.8 18.5 1.0 C B:GLY139 4.9 21.1 1.0 C22 B:0IW310 4.9 20.2 1.0 O B:GLY139 4.9 25.6 1.0 CA B:ASP162 5.0 12.1 1.0

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