Atomistry » Bromine » PDB 5c9w-5ev1 » 5dy4
Atomistry »
  Bromine »
    PDB 5c9w-5ev1 »
      5dy4 »

Bromine in PDB 5dy4: Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+

Protein crystallography data

The structure of Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+, PDB code: 5dy4 was solved by T.Rumpf, S.Gerhardt, O.Einsle, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.78 / 1.77
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.303, 55.432, 96.176, 90.00, 114.91, 90.00
R / Rfree (%) 17.5 / 21.3

Other elements in 5dy4:

The structure of Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+ also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+ (pdb code 5dy4). 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 Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+, PDB code: 5dy4:

Bromine binding site 1 out of 1 in 5dy4

Go back to Bromine Binding Sites List in 5dy4
Bromine binding site 1 out of 1 in the Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human SIRT2 in Complex with A Brominated 2ND Generation Sirreal Inhibitor and Nad+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:29.1
occ:1.00
BR A:5GN402 0.0 29.1 1.0
C12 A:5GN402 1.9 25.8 1.0
C11 A:5GN402 2.8 25.3 1.0
C13 A:5GN402 2.8 28.0 1.0
O2D A:NAD403 2.9 28.7 1.0
O3D A:NAD403 3.7 29.5 1.0
CG2 A:ILE169 3.7 24.4 1.0
CD1 A:ILE169 3.9 27.2 1.0
C2D A:NAD403 3.9 28.4 1.0
C1D A:NAD403 4.0 27.6 1.0
C14 A:5GN402 4.1 26.3 1.0
C10 A:5GN402 4.2 27.5 1.0
CB A:HIS187 4.3 23.7 1.0
C3D A:NAD403 4.4 28.4 1.0
ND1 A:HIS187 4.4 25.4 1.0
CG1 A:ILE169 4.6 25.2 1.0
C9 A:5GN402 4.7 27.1 1.0
O A:HIS187 4.7 24.5 1.0
CB A:ILE169 4.8 24.1 1.0
CG A:HIS187 4.8 24.7 1.0
O A:GLN167 4.8 22.9 1.0
O4D A:NAD403 4.9 27.9 1.0
N1N A:NAD403 4.9 26.9 1.0

Reference:

M.Schiedel, T.Rumpf, B.Karaman, A.Lehotzky, J.Olah, S.Gerhardt, J.Ovadi, W.Sippl, O.Einsle, M.Jung. Aminothiazoles As Potent and Selective SIRT2 Inhibitors: A Structure-Activity Relationship Study. J.Med.Chem. V. 59 1599 2016.
ISSN: ISSN 0022-2623
PubMed: 26696402
DOI: 10.1021/ACS.JMEDCHEM.5B01517
Page generated: Sat Dec 12 02:25:29 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy