Atomistry » Bromine » PDB 7qwd-7uos » 7uc6
Atomistry »
  Bromine »
    PDB 7qwd-7uos »
      7uc6 »

Bromine in PDB 7uc6: STAT5A Core in Complex with Compound 12

Protein crystallography data

The structure of STAT5A Core in Complex with Compound 12, PDB code: 7uc6 was solved by J.L.Meagher, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.82 / 3.10
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 237.674, 237.674, 112.811, 90, 90, 120
R / Rfree (%) 19.5 / 24.3

Other elements in 7uc6:

The structure of STAT5A Core in Complex with Compound 12 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the STAT5A Core in Complex with Compound 12 (pdb code 7uc6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the STAT5A Core in Complex with Compound 12, PDB code: 7uc6:

Bromine binding site 1 out of 1 in 7uc6

Go back to Bromine Binding Sites List in 7uc6
Bromine binding site 1 out of 1 in the STAT5A Core in Complex with Compound 12


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of STAT5A Core in Complex with Compound 12 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br801

b:119.4
occ:1.00
BR A:MJ6801 0.0 119.4 1.0
C21 A:MJ6801 1.9 115.8 1.0
C22 A:MJ6801 2.8 114.2 1.0
C20 A:MJ6801 2.8 114.0 1.0
OD2 A:ASP650 3.8 68.2 1.0
O A:HOH935 3.8 55.5 1.0
CD A:LYS644 3.8 55.7 1.0
O A:PRO645 3.9 53.1 1.0
CE A:LYS644 4.0 57.7 1.0
C23 A:MJ6801 4.1 112.6 1.0
C19 A:MJ6801 4.1 112.3 1.0
NZ A:LYS644 4.2 58.9 1.0
CG A:LYS644 4.2 54.7 1.0
CG A:ASP650 4.3 65.9 1.0
CD1 A:PHE646 4.4 57.4 1.0
CB A:LYS644 4.6 54.7 1.0
C A:PRO645 4.6 53.5 1.0
C18 A:MJ6801 4.6 110.9 1.0
OD1 A:ASP650 4.7 67.0 1.0
CA A:PHE646 4.7 54.4 1.0
CE1 A:PHE646 4.7 58.3 1.0
O A:LYS644 4.8 54.6 1.0
N A:PHE646 5.0 53.7 1.0
C A:LYS644 5.0 54.7 1.0

Reference:

A.Kaneshige, L.Bai, M.Wang, D.Mceachern, J.L.Meagher, R.Xu, P.D.Kirchhoff, B.Wen, D.Sun, J.A.Stuckey, S.Wang. Discovery of A Potent and Selective STAT5 Protac Degrader with Strong Antitumor Activity in Vivo in Acute Myeloid Leukemia. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 36735833
DOI: 10.1021/ACS.JMEDCHEM.2C01665
Page generated: Tue Apr 4 17:40:04 2023

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