Chlorine in PDB 6afb: Dj-1 C106S Incubated with Isatin

Enzymatic activity of Dj-1 C106S Incubated with Isatin

All present enzymatic activity of Dj-1 C106S Incubated with Isatin:
3.5.1.124;

Protein crystallography data

The structure of Dj-1 C106S Incubated with Isatin, PDB code: 6afb was solved by J.M.M.Caaveiro, S.Tashiro, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.40 / 1.60
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 74.860, 74.860, 74.690, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 17.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dj-1 C106S Incubated with Isatin (pdb code 6afb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Dj-1 C106S Incubated with Isatin, PDB code: 6afb:

Chlorine binding site 1 out of 1 in 6afb

Go back to Chlorine Binding Sites List in 6afb
Chlorine binding site 1 out of 1 in the Dj-1 C106S Incubated with Isatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dj-1 C106S Incubated with Isatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:18.9
occ:1.00
N A:ASN76 3.4 12.7 1.0
O A:HOH315 3.4 15.1 1.0
NH1 A:ARG48 3.5 10.6 1.0
CA A:GLY75 3.7 10.7 1.0
O A:HOH380 4.0 11.5 1.0
C A:GLY75 4.0 11.6 1.0
CB A:ASN76 4.2 13.7 0.5
C1 A:DMS204 4.2 19.1 0.8
NH2 A:ARG48 4.3 12.0 1.0
CB A:ASN76 4.4 17.1 0.5
CZ A:ARG48 4.4 11.7 1.0
C2 A:DMS204 4.4 18.1 0.8
CA A:ASN76 4.4 12.7 0.5
CA A:ASN76 4.5 14.0 0.5
O A:HOH350 4.5 13.4 1.0
N A:GLY75 4.6 10.4 1.0
O A:DMS204 4.6 21.6 0.8
S A:DMS204 4.8 20.1 0.8
CG A:GLU15 4.9 10.6 1.0

Reference:

S.Tashiro, J.M.M.Caaveiro, M.Nakakido, A.Tanabe, S.Nagatoishi, Y.Tamura, N.Matsuda, D.Liu, Q.Q.Hoang, K.Tsumoto. Discovery and Optimization of Inhibitors of the Parkinson'S Disease Associated Protein Dj-1. Acs Chem. Biol. V. 13 2783 2018.
ISSN: ESSN 1554-8937
PubMed: 30063823
DOI: 10.1021/ACSCHEMBIO.8B00701
Page generated: Sat Dec 12 12:43:37 2020

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