Atomistry » Fluorine » PDB 6oac-6onm » 6oir
Atomistry »
  Fluorine »
    PDB 6oac-6onm »
      6oir »

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: Thu Aug 1 23:42:21 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy