Chlorine in PDB 5wbn: Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain

Enzymatic activity of Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain

All present enzymatic activity of Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain, PDB code: 5wbn was solved by R.J.Harding, J.R.Walker, R.Ferreira De Freitas, M.Ravichandran, V.Santhakumar, M.Schapira, C.Bountra, A.M.Edwards, C.H.Arrowsmith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.44 / 1.64
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.850, 43.740, 55.760, 90.00, 90.00, 90.00
R / Rfree (%) 13.2 / 16.8

Other elements in 5wbn:

The structure of Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain (pdb code 5wbn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain, PDB code: 5wbn:

Chlorine binding site 1 out of 1 in 5wbn

Go back to Chlorine Binding Sites List in 5wbn
Chlorine binding site 1 out of 1 in the Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2, 3-C]Quinazolin-6-Yl)Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1316

b:29.4
occ:1.00
N A:ALA1125 3.2 13.3 1.0
N A:ALA1124 3.5 11.7 1.0
O A:HOH1498 3.5 14.1 1.0
CB A:ALA1125 3.7 16.3 1.0
CB A:PRO1123 3.9 11.9 1.0
CA A:ALA1124 4.0 12.0 1.0
C A:ALA1124 4.0 13.1 1.0
CA A:ALA1125 4.0 15.1 1.0
CB A:ALA1124 4.1 11.3 1.0
C A:PRO1123 4.1 12.0 1.0
CA A:PRO1123 4.3 11.7 1.0
O A:HOH1546 4.9 33.7 1.0

Reference:

R.J.Harding, J.R.Walker, R.Ferreira De Freitas, M.Ravichandran, V.Santhakumar, M.Schapira, C.Bountra, A.M.Edwards, C.H.Arrowsmith. Crystal Structure of Fragment 3-(3-Benzyl-2-Oxo-2H-[1,2,4]Triazino[2,3-C]Quinazolin-6-Yl) Propanoic Acid Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain To Be Published.
Page generated: Sat Dec 12 12:36:14 2020

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