Atomistry » Chlorine » PDB 5xih-5xva » 5xu8
Atomistry »
  Chlorine »
    PDB 5xih-5xva »
      5xu8 »

Chlorine in PDB 5xu8: Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine

Enzymatic activity of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine

All present enzymatic activity of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine:
3.4.19.12;

Protein crystallography data

The structure of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine, PDB code: 5xu8 was solved by C.Y.Chou, S.J.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.81
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.953, 54.650, 72.687, 90.00, 107.54, 90.00
R / Rfree (%) 17.9 / 23.8

Other elements in 5xu8:

The structure of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine (pdb code 5xu8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine, PDB code: 5xu8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5xu8

Go back to Chlorine Binding Sites List in 5xu8
Chlorine binding site 1 out of 5 in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:61.1
occ:1.00
 N A:LYS514 3.0 35.0 1.0
CB A:THR552 3.4 34.3 1.0
CB A:SER513 3.5 39.7 1.0
CA A:SER513 3.5 38.7 1.0
CA A:THR552 3.6 35.0 1.0
N A:THR553 3.6 39.3 1.0
CB A:LYS514 3.7 30.0 1.0
C A:SER513 3.8 35.2 1.0
CA A:LYS514 4.0 29.8 1.0
CG2 A:THR552 4.0 37.7 1.0
C A:THR552 4.1 37.1 1.0
CG2 A:THR553 4.4 38.0 1.0
OG1 A:THR553 4.5 44.8 1.0
OG1 A:THR552 4.6 34.9 1.0
O A:LYS514 4.6 33.2 1.0
OG A:SER513 4.7 44.7 1.0
O A:THR512 4.8 43.8 1.0
CA A:THR553 4.8 42.9 1.0
CB A:THR553 4.8 44.4 1.0
C A:LYS514 4.8 32.4 1.0
N A:SER513 4.9 39.8 1.0
N A:THR552 5.0 32.8 1.0

Chlorine binding site 2 out of 5 in 5xu8

Go back to Chlorine Binding Sites List in 5xu8
Chlorine binding site 2 out of 5 in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:80.4
occ:1.00
 O A:HOH891 2.9 56.1 1.0
O A:HOH947 3.1 90.8 1.0
CA A:SER308 3.7 64.9 1.0
O A:GLY307 3.9 65.1 1.0
N A:SER308 4.0 56.1 1.0
C A:GLY307 4.0 57.7 1.0
CB A:SER308 4.1 64.5 1.0
N A:GLY307 4.8 49.3 1.0
C A:SER308 4.9 73.2 1.0
CA A:GLY307 5.0 56.2 1.0

Chlorine binding site 3 out of 5 in 5xu8

Go back to Chlorine Binding Sites List in 5xu8
Chlorine binding site 3 out of 5 in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl101

b:68.0
occ:1.00
 NZ B:LYS27 3.0 46.4 1.0
O B:HOH222 3.0 37.6 1.0
O B:HOH212 3.0 28.8 1.0
O A:HOH850 3.0 51.5 1.0
NE2 B:GLN49 3.2 30.6 1.0
O B:GLN41 3.3 27.5 1.0
O B:HOH236 3.6 36.6 1.0
CE B:LYS27 3.9 40.1 1.0
CD B:GLN49 4.1 29.3 1.0
NH2 B:ARG72 4.1 30.4 1.0
CA B:ARG42 4.1 26.2 1.0
O B:LEU50 4.1 32.9 1.0
CG B:ARG42 4.2 23.3 1.0
NH2 A:ARG349 4.2 48.3 1.0
CG B:GLN49 4.4 27.6 1.0
C B:GLN41 4.4 28.6 1.0
CB B:ARG42 4.4 24.9 1.0
N B:ARG42 4.7 26.5 1.0
NH1 A:ARG349 4.9 51.7 1.0
OE1 A:GLU360 4.9 31.0 1.0

Chlorine binding site 4 out of 5 in 5xu8

Go back to Chlorine Binding Sites List in 5xu8
Chlorine binding site 4 out of 5 in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:69.0
occ:1.00
 OG1 B:THR7 2.7 29.4 1.0
OG1 B:THR9 2.8 42.5 1.0
N B:THR9 2.9 30.8 1.0
N B:LYS11 2.9 34.5 1.0
N B:GLY10 3.1 33.4 1.0
OE1 A:GLU507 3.4 73.8 1.0
CB B:LYS11 3.4 39.4 1.0
CA B:THR9 3.4 35.3 1.0
C B:THR9 3.5 35.9 1.0
CA B:LYS11 3.6 35.4 1.0
N B:LEU8 3.6 28.4 1.0
CB B:THR9 3.7 40.2 1.0
O B:HOH209 3.8 42.4 1.0
C B:THR7 3.8 28.4 1.0
O B:LYS11 3.9 31.4 1.0
C B:GLY10 3.9 37.0 1.0
O B:HOH214 3.9 36.1 1.0
CB B:THR7 3.9 31.0 1.0
C B:LEU8 4.0 31.9 1.0
CA B:GLY10 4.1 36.4 1.0
C B:LYS11 4.1 31.4 1.0
CE B:LYS11 4.2 61.2 1.0
CA B:THR7 4.3 27.1 1.0
CA B:LEU8 4.3 30.1 1.0
CG B:LYS11 4.4 50.2 1.0
O B:THR7 4.4 27.2 1.0
O B:THR9 4.4 39.5 1.0
CD B:LYS11 4.5 53.5 1.0
CD A:GLU507 4.6 72.5 1.0
NZ B:LYS11 4.6 57.3 1.0
CG2 B:THR9 4.6 46.8 1.0
N B:THR7 4.7 24.3 1.0

Chlorine binding site 5 out of 5 in 5xu8

Go back to Chlorine Binding Sites List in 5xu8
Chlorine binding site 5 out of 5 in the Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human USP2 in Complex with Ubiquitin and 6- Thioguanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:74.5
occ:1.00
 N B:THR22 2.9 40.0 1.0
CB B:ASN25 3.0 43.5 1.0
OG1 B:THR22 3.0 39.3 1.0
ND2 B:ASN25 3.0 56.9 1.0
CG B:ASN25 3.3 50.4 1.0
CG2 B:THR22 3.6 39.3 1.0
CB B:THR22 3.6 37.0 1.0
CA B:ASP21 3.7 38.0 1.0
C B:ASP21 3.8 39.2 1.0
CA B:THR22 3.8 37.2 1.0
CA B:ASN25 4.3 36.8 1.0
O B:HOH204 4.3 59.7 1.0
CB B:ASP21 4.4 42.3 1.0
OD1 B:ASN25 4.4 61.6 1.0
O B:THR22 4.4 32.1 1.0
O B:HOH211 4.4 42.0 1.0
O B:SER20 4.5 38.4 1.0
N B:ASN25 4.5 37.8 1.0
C B:THR22 4.6 34.8 1.0
OD1 B:ASP21 4.6 44.3 1.0
CG B:ASP21 4.7 47.8 1.0
N B:ASP21 4.8 38.9 1.0
O B:ASP21 5.0 38.7 1.0

Reference:

S.J.Chuang, S.C.Cheng, H.C.Tang, C.Y.Sun, C.Y.Chou. 6-Thioguanine Is A Noncompetitive and Slow Binding Inhibitor of Human Deubiquitinating Protease USP2 Sci Rep V. 8 3102 2018.
ISSN: ESSN 2045-2322
PubMed: 29449607
DOI: 10.1038/S41598-018-21476-W
Page generated: Fri Jul 26 21:09:25 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy