Zinc 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:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 62, PDB code: 6oir:

Zinc binding site 1 out of 1 in 6oir

Go back to Zinc Binding Sites List in 6oir
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:15.7
occ:1.00
 NE2 A:HIS556 2.1 13.0 1.0
SG A:CYS543 2.3 14.3 1.0
SG A:CYS540 2.3 13.9 1.0
SG A:CYS560 2.3 15.4 1.0
CE1 A:HIS556 3.1 12.9 1.0
CD2 A:HIS556 3.1 12.6 1.0
CB A:CYS540 3.1 15.2 1.0
CB A:CYS560 3.2 15.4 1.0
CB A:CYS543 3.3 13.8 1.0
N A:CYS543 3.7 12.5 1.0
CA A:CYS543 4.0 13.8 1.0
ND1 A:HIS556 4.2 12.9 1.0
CG A:HIS556 4.2 13.1 1.0
CA A:CYS540 4.6 15.4 1.0
CA A:CYS560 4.6 18.2 1.0
C A:CYS543 4.8 14.6 1.0
CB A:LYS545 4.8 16.1 1.0
N A:LEU544 4.9 13.0 1.0
C A:TYR542 4.9 13.4 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: Wed Dec 16 12:26:41 2020

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