Chlorine in PDB 6iim: USP14 Catalytic Domain with IU1-206

Enzymatic activity of USP14 Catalytic Domain with IU1-206

All present enzymatic activity of USP14 Catalytic Domain with IU1-206:
3.4.19.12;

Protein crystallography data

The structure of USP14 Catalytic Domain with IU1-206, PDB code: 6iim was solved by Z.Q.Mei, J.W.Wang, F.Wang, Y.W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.310, 81.186, 108.511, 90.00, 94.74, 90.00
R / Rfree (%) 20.6 / 24.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the USP14 Catalytic Domain with IU1-206 (pdb code 6iim). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the USP14 Catalytic Domain with IU1-206, PDB code: 6iim:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6iim

Go back to Chlorine Binding Sites List in 6iim
Chlorine binding site 1 out of 2 in the USP14 Catalytic Domain with IU1-206


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of USP14 Catalytic Domain with IU1-206 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:30.6
occ:1.00
CL1 A:A8L501 0.0 30.6 1.0
C2 A:A8L501 1.8 33.7 1.0
C3 A:A8L501 2.7 42.8 1.0
C1 A:A8L501 2.8 38.2 1.0
CE A:LYS342 3.5 40.1 1.0
CD1 A:TYR476 3.8 21.2 1.0
CB A:HIS426 3.9 20.4 1.0
ND1 A:HIS426 4.0 23.6 1.0
C4 A:A8L501 4.0 42.8 1.0
CB A:ARG330 4.0 47.2 1.0
C6 A:A8L501 4.0 37.5 1.0
CG A:LYS342 4.1 41.5 1.0
CG A:HIS426 4.1 21.7 1.0
CD A:LYS342 4.1 39.5 1.0
CD A:ARG330 4.1 43.4 1.0
CG A:ARG330 4.3 47.9 1.0
CG A:TYR476 4.3 25.0 1.0
CE1 A:TYR476 4.3 25.3 1.0
NZ A:LYS342 4.4 39.9 1.0
CB A:TYR476 4.5 22.1 1.0
O A:ARG330 4.6 62.9 1.0
C5 A:A8L501 4.6 39.1 1.0
CE1 A:HIS426 4.8 23.8 1.0
CE1 A:PHE331 5.0 54.7 1.0
CD2 A:HIS426 5.0 22.4 1.0

Chlorine binding site 2 out of 2 in 6iim

Go back to Chlorine Binding Sites List in 6iim
Chlorine binding site 2 out of 2 in the USP14 Catalytic Domain with IU1-206


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of USP14 Catalytic Domain with IU1-206 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:52.3
occ:1.00
CL1 B:A8L501 0.0 52.3 1.0
C2 B:A8L501 1.8 43.8 1.0
C1 B:A8L501 2.8 46.6 1.0
C3 B:A8L501 2.8 48.9 1.0
CE B:LYS342 3.5 75.3 1.0
CD1 B:TYR476 3.8 45.9 1.0
CD B:LYS342 3.9 79.8 1.0
NZ B:LYS342 4.0 74.8 1.0
CB B:HIS426 4.0 47.2 1.0
C6 B:A8L501 4.0 49.5 1.0
C4 B:A8L501 4.1 54.4 1.0
CG B:HIS426 4.1 49.3 1.0
ND1 B:HIS426 4.1 55.9 1.0
CG B:TYR476 4.2 46.4 1.0
CG B:LYS342 4.2 86.4 1.0
CE1 B:TYR476 4.3 50.3 1.0
CB B:TYR476 4.5 46.1 1.0
CB B:ARG330 4.5 87.4 1.0
CD B:ARG330 4.6 75.0 1.0
C5 B:A8L501 4.6 53.4 1.0
CE1 B:HIS426 4.9 57.0 1.0
CD2 B:HIS426 4.9 50.1 1.0
CG B:ARG330 4.9 82.2 1.0

Reference:

Y.Wang, Y.Jiang, S.Ding, J.Li, N.Song, Y.Ren, D.Hong, C.Wu, B.Li, F.Wang, W.He, J.Wang, Z.Mei. Small Molecule Inhibitors Reveal Allosteric Regulation of USP14 Via Steric Blockade. Cell Res. V. 28 1186 2018.
ISSN: ISSN 1748-7838
PubMed: 30254335
DOI: 10.1038/S41422-018-0091-X
Page generated: Sat Dec 12 13:10:16 2020

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