Chlorine in PDB 5anq: Inhibitors of Jumonjic Domain-Containing Histone Demethylases

Enzymatic activity of Inhibitors of Jumonjic Domain-Containing Histone Demethylases

All present enzymatic activity of Inhibitors of Jumonjic Domain-Containing Histone Demethylases:
1.14.11.27;

Protein crystallography data

The structure of Inhibitors of Jumonjic Domain-Containing Histone Demethylases, PDB code: 5anq was solved by M.Roatsch, D.Robaa, M.Pippel, J.E.Nettleship, Y.Reddivari, L.E.Bird, I.Hoffmann, H.Franz, R.J.Owens, R.Schuele, R.Flaig, W.Sippl, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.76 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 100.694, 149.271, 57.527, 90.00, 90.00, 90.00
R / Rfree (%) 18.939 / 23.242

Other elements in 5anq:

The structure of Inhibitors of Jumonjic Domain-Containing Histone Demethylases also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases (pdb code 5anq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases, PDB code: 5anq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5anq

Go back to Chlorine Binding Sites List in 5anq
Chlorine binding site 1 out of 4 in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibitors of Jumonjic Domain-Containing Histone Demethylases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1358

b:75.4
occ:1.00
ND2 A:ASN124 3.7 40.4 1.0
CE A:LYS120 3.8 54.6 1.0
CD A:LYS120 4.1 52.7 1.0
CG A:LYS120 4.1 46.3 1.0
NZ A:LYS123 4.4 60.4 1.0
CD A:LYS123 4.4 54.6 1.0
CG A:ASN124 4.7 36.7 1.0
OD1 A:ASN124 4.8 42.3 1.0
CB A:LYS120 4.9 43.1 1.0

Chlorine binding site 2 out of 4 in 5anq

Go back to Chlorine Binding Sites List in 5anq
Chlorine binding site 2 out of 4 in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibitors of Jumonjic Domain-Containing Histone Demethylases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1359

b:76.0
occ:1.00
N B:MET317 3.4 38.8 1.0
OG B:SER316 3.5 48.7 1.0
CA B:SER316 3.8 44.5 1.0
CH2 B:TRP332 3.9 48.7 1.0
C B:SER316 4.0 38.7 1.0
CB B:SER316 4.1 45.5 1.0
N B:ASP318 4.1 41.9 1.0
CZ2 B:TRP332 4.2 45.9 1.0
CA B:MET317 4.3 39.0 1.0
CB B:MET317 4.5 39.1 1.0
C B:MET317 4.7 38.3 1.0
CB B:ASP318 4.8 42.1 1.0
CA B:ASP318 4.9 40.9 1.0
O B:ILE315 5.0 40.9 1.0

Chlorine binding site 3 out of 4 in 5anq

Go back to Chlorine Binding Sites List in 5anq
Chlorine binding site 3 out of 4 in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inhibitors of Jumonjic Domain-Containing Histone Demethylases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1360

b:77.7
occ:1.00
NH1 B:ARG41 3.7 64.0 1.0
NH2 B:ARG41 3.8 64.7 1.0
CZ B:ARG41 4.2 61.7 1.0

Chlorine binding site 4 out of 4 in 5anq

Go back to Chlorine Binding Sites List in 5anq
Chlorine binding site 4 out of 4 in the Inhibitors of Jumonjic Domain-Containing Histone Demethylases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inhibitors of Jumonjic Domain-Containing Histone Demethylases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1361

b:72.8
occ:1.00
O B:HOH2063 3.2 60.9 1.0
ND2 B:ASN102 3.5 55.0 1.0
CE B:LYS99 3.8 70.4 1.0
CB B:ASN102 3.9 47.7 1.0
CG B:ARG98 4.0 54.6 1.0
NZ B:LYS99 4.1 76.3 1.0
CG B:ASN102 4.2 54.9 1.0
CD B:ARG98 4.4 58.4 1.0
O B:ARG98 4.4 52.6 1.0
NE B:ARG98 4.5 61.4 1.0
CA B:LYS99 4.6 51.5 1.0
C B:ARG98 4.7 46.8 1.0
N B:LYS99 4.8 47.2 1.0
CD B:LYS99 4.8 71.2 1.0

Reference:

M.Roatsch, D.Robaa, M.Pippel, J.E.Nettleship, Y.Reddivari, L.E.Bird, I.Hoffmann, H.Franz, R.J.Owens, R.Schole, R.Flaig, W.Sippl, M.Jung. Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4- Carboxylates As Potent Inhibitors of Jumonjic Domain- Containing Histone Demethylases. Fut.Med.Chem. V. 8 1553 2016.
ISSN: ISSN 1756-8919
PubMed: 26971619
DOI: 10.4155/FMC.15.188
Page generated: Sat Dec 12 11:31:09 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