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Sodium in PDB 5kh9: Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain
Enzymatic activity of Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain
All present enzymatic activity of Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain:
3.5.1.98;
3.5.1.98;
Protein crystallography data
The structure of Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain, PDB code: 5kh9
was solved by
R.J.Harding,
W.Tempel,
M.Ravichandran,
P.Collins,
N.Pearce,
J.Brandao-Neto,
A.Douangamath,
M.Schapira,
C.Bountra,
A.M.Edwards,
F.Von Delft,
V.Santhakumar,
C.M.Arrowsmith,
Structural Genomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 34.80 / 1.07 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 41.434, 44.157, 56.549, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.6 / 15 |
Other elements in 5kh9:
The structure of Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain also contains other interesting chemical elements:
| Zinc | (Zn) | 3 atoms |
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain
(pdb code 5kh9). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain, PDB code: 5kh9:
In total only one binding site of Sodium was determined in the Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain, PDB code: 5kh9:
Sodium binding site 1 out of 1 in 5kh9
Go back to
Sodium Binding Sites List in 5kh9
Sodium binding site 1 out
of 1 in the Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of A Low Occupancy Fragment Candidate (5-[(4- Isopropylphenyl)Amino]-6-Methyl-1,2,4-Triazin-3(2H)-One) Bound in the Ubiquitin Binding Pocket of the HDAC6 Zinc-Finger Domain within 5.0Å range:
|
Reference:
R.J.Harding,
R.Ferreira De Freitas,
P.Collins,
I.Franzoni,
M.Ravichandran,
H.Ouyang,
K.A.Juarez-Ornelas,
M.Lautens,
M.Schapira,
F.Von Delft,
V.Santhakumar,
C.H.Arrowsmith.
Small Molecule Antagonists of the Interaction Between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem. V. 60 9090 2017.
ISSN: ISSN 1520-4804
PubMed: 29019676
DOI: 10.1021/ACS.JMEDCHEM.7B00933
Page generated: Tue Dec 15 11:10:23 2020
ISSN: ISSN 1520-4804
PubMed: 29019676
DOI: 10.1021/ACS.JMEDCHEM.7B00933
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