Chlorine in PDB 6m1k: USP7 in Complex with A Novel Inhibitor

Enzymatic activity of USP7 in Complex with A Novel Inhibitor

All present enzymatic activity of USP7 in Complex with A Novel Inhibitor:
3.4.19.12;

Protein crystallography data

The structure of USP7 in Complex with A Novel Inhibitor, PDB code: 6m1k was solved by S.J.Liu, X.Y.Zhou, M.L.Li, H.B.Sun, X.A.Wen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.18 / 2.26
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.065, 69.2, 76.45, 90, 95.56, 90
R / Rfree (%) 23.3 / 26.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the USP7 in Complex with A Novel Inhibitor (pdb code 6m1k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the USP7 in Complex with A Novel Inhibitor, PDB code: 6m1k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6m1k

Go back to Chlorine Binding Sites List in 6m1k
Chlorine binding site 1 out of 2 in the USP7 in Complex with A Novel Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of USP7 in Complex with A Novel Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:59.6
occ:1.00
CL1 A:EZF601 0.0 59.6 1.0
C17 A:EZF601 1.8 56.1 1.0
C16 A:EZF601 2.8 61.4 1.0
C18 A:EZF601 2.8 55.3 1.0
C19 A:EZF601 3.1 53.0 1.0
C21 A:EZF601 3.3 45.7 1.0
CG A:LYS420 3.5 57.6 1.0
CB A:ARG408 3.5 51.9 1.0
O A:ARG408 3.6 60.1 1.0
N22 A:EZF601 3.7 51.1 1.0
C A:ARG408 3.8 55.4 1.0
O33 A:EZF601 4.0 47.8 1.0
CD A:LYS420 4.0 55.3 1.0
CE A:LYS420 4.0 52.7 1.0
C13 A:EZF601 4.1 56.4 1.0
C15 A:EZF601 4.1 60.4 1.0
N A:PHE409 4.2 59.2 1.0
CA A:ARG408 4.3 53.1 1.0
CB A:LYS420 4.4 62.0 1.0
O A:HOH727 4.4 44.5 1.0
CB A:PHE409 4.5 66.9 1.0
C23 A:EZF601 4.6 44.0 1.0
ND1 A:HIS456 4.6 49.9 1.0
C14 A:EZF601 4.6 58.3 1.0
CG A:ARG408 4.7 47.1 1.0
C20 A:EZF601 4.7 45.3 1.0
CA A:PHE409 4.8 66.5 1.0
CA A:LYS420 4.8 64.8 1.0

Chlorine binding site 2 out of 2 in 6m1k

Go back to Chlorine Binding Sites List in 6m1k
Chlorine binding site 2 out of 2 in the USP7 in Complex with A Novel Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of USP7 in Complex with A Novel Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:61.1
occ:1.00
CL1 B:EZF601 0.0 61.1 1.0
C17 B:EZF601 1.8 59.8 1.0
C18 B:EZF601 2.8 57.9 1.0
C16 B:EZF601 2.8 62.0 1.0
C19 B:EZF601 3.1 56.3 1.0
CG B:LYS420 3.4 56.9 1.0
C21 B:EZF601 3.4 51.5 1.0
CB B:ARG408 3.4 51.1 1.0
O B:ARG408 3.7 57.2 1.0
N22 B:EZF601 3.8 54.4 1.0
C B:ARG408 3.8 53.8 1.0
CE B:LYS420 3.8 58.6 1.0
CD B:LYS420 4.0 57.0 1.0
C13 B:EZF601 4.1 62.4 1.0
O33 B:EZF601 4.1 48.9 1.0
C15 B:EZF601 4.1 64.0 1.0
N B:PHE409 4.2 52.7 1.0
CB B:LYS420 4.2 60.8 1.0
CA B:ARG408 4.3 50.1 1.0
CG B:ARG408 4.6 47.0 1.0
CB B:PHE409 4.6 61.2 1.0
C14 B:EZF601 4.6 62.0 1.0
C23 B:EZF601 4.7 47.0 1.0
CA B:LYS420 4.7 62.6 1.0
O B:HOH702 4.8 49.9 1.0
CA B:PHE409 4.8 60.0 1.0
C20 B:EZF601 4.8 49.6 1.0
ND1 B:HIS456 4.8 54.3 1.0

Reference:

M.Li, S.Liu, H.Chen, X.Zhou, J.Zhou, S.Zhou, H.Yuan, Q.L.Xu, J.Liu, K.Cheng, H.Sun, Y.Wang, C.Chen, X.Wen. N-Benzylpiperidinol Derivatives As Novel USP7 Inhibitors: Structure-Activity Relationships and X-Ray Crystallographic Studies. Eur.J.Med.Chem. V. 199 12279 2020.
ISSN: ISSN 0223-5234
PubMed: 32497973
DOI: 10.1016/J.EJMECH.2020.112279
Page generated: Sat Apr 3 14:03:53 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy