Fluorine in PDB 6oir: Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62

Enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62

All present enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62, PDB code: 6oir was solved by S.J.Hermans, M.C.Chung, M.W.Parker, T.Thomas, J.B.Baell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.48 / 2.03
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.529, 56.831, 122.161, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 22.1

Other elements in 6oir:

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62 (pdb code 6oir). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62, PDB code: 6oir:

Fluorine binding site 1 out of 1 in 6oir

Go back to Fluorine Binding Sites List in 6oir
Fluorine binding site 1 out of 1 in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:20.1
occ:1.00
 FAD A:MNJ802 0.0 20.1 1.0
CAU A:MNJ802 1.4 20.4 1.0
CAY A:MNJ802 2.4 20.2 1.0
CAO A:MNJ802 2.4 19.8 1.0
NAR A:MNJ802 2.7 20.1 1.0
CAT A:MNJ802 2.8 21.4 1.0
OG A:SER690 3.0 18.4 1.0
CA A:GLY659 3.0 13.9 1.0
CB A:SER690 3.1 15.3 1.0
C A:GLY659 3.3 15.4 1.0
CAM A:MNJ802 3.4 17.8 1.0
CAQ A:MNJ802 3.6 21.6 1.0
O A:GLY659 3.7 14.6 1.0
CAP A:MNJ802 3.7 21.4 1.0
CD1 A:ILE663 3.7 14.7 1.0
OAB A:MNJ802 3.8 17.9 1.0
OAA A:MNJ802 3.9 20.2 1.0
NAS A:MNJ802 3.9 19.7 1.0
N A:ARG660 3.9 14.4 1.0
CAW A:MNJ802 4.2 22.9 1.0
N A:GLY659 4.2 14.3 1.0
SAZ A:MNJ802 4.3 18.7 1.0
CAI A:MNJ802 4.3 17.9 1.0
CAX A:MNJ802 4.3 18.5 1.0
CA A:SER690 4.5 17.1 1.0
CG1 A:ILE663 4.6 11.9 1.0
CA A:ARG660 4.8 14.2 0.5
CA A:ARG660 4.8 14.7 0.5
CG1 A:ILE649 5.0 11.1 1.0

Reference:

D.J.Leaver, B.Cleary, N.Nguyen, D.L.Priebbenow, H.R.Lagiakos, J.Sanchez, L.Xue, F.Huang, Y.Sun, P.Mujumdar, R.Mudududdla, S.Varghese, S.Teguh, S.A.Charman, K.L.White, K.Katneni, M.Cuellar, J.M.Strasser, J.L.Dahlin, M.A.Walters, I.P.Street, B.J.Monahan, K.E.Jarman, H.J.Sabroux, H.Falk, M.C.Chung, S.J.Hermans, M.W.Parker, T.Thomas, J.B.Baell. Discovery of Benzoylsulfonohydrazides As Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem. V. 62 7146 2019.
ISSN: ISSN 0022-2623
PubMed: 31256587
DOI: 10.1021/ACS.JMEDCHEM.9B00665
Page generated: Sun Dec 13 13:02:23 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