Chlorine in PDB 8g45: Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe

Enzymatic activity of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe

All present enzymatic activity of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe:
3.5.1.98;

Protein crystallography data

The structure of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe, PDB code: 8g45 was solved by R.J.Harding, I.Franzoni, M.K.Mann, M.Szewczyk, B.Mirabi, D.D.G.Owens, S.Ackloo, A.Scheremetjew, K.A.Juarez-Ornelas, R.Sanichar, R.J.Baker, C.Dank, P.J.Brown, D.Barsyte-Lovejoy, V.Santhakumar, M.Schapira, M.Lautens, C.H.Arrowsmith, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.96 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.61, 44.91, 55.7, 90, 90, 90
R / Rfree (%) 16 / 19

Other elements in 8g45:

The structure of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe (pdb code 8g45). 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 Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe, PDB code: 8g45:

Chlorine binding site 1 out of 1 in 8g45

Go back to Chlorine Binding Sites List in 8g45
Chlorine binding site 1 out of 1 in the Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of HDAC6 Zinc-Finger Ubiquitin Binding Domain in Complex with Sgc-UBD253 Chemical Probe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1304

b:42.3
occ:1.00
 CL A:ZUE1304 0.0 42.3 1.0
C19 A:ZUE1304 1.7 32.2 1.0
C18 A:ZUE1304 2.7 37.9 1.0
C14 A:ZUE1304 2.7 32.7 1.0
N2 A:ZUE1304 2.9 30.2 1.0
CE1 A:TYR1184 3.7 25.8 1.0
CD1 A:LEU1162 3.9 37.0 1.0
C17 A:ZUE1304 4.0 36.2 1.0
CD1 A:TYR1184 4.0 26.1 1.0
C15 A:ZUE1304 4.0 32.2 1.0
O A:HOH1450 4.0 43.0 1.0
CD2 A:LEU1162 4.0 37.6 1.0
CD A:ARG1155 4.2 32.5 1.0
C10 A:ZUE1304 4.2 29.2 1.0
O1 A:ZUE1304 4.3 26.8 1.0
CG A:LEU1162 4.4 34.9 1.0
C16 A:ZUE1304 4.5 37.6 1.0
C13 A:ZUE1304 4.5 28.4 1.0
CB A:LEU1162 4.6 30.9 1.0
NE1 A:TRP1182 4.7 27.4 1.0
C12 A:ZUE1304 4.8 27.5 1.0
CZ A:TYR1184 4.9 28.4 1.0

Reference:

R.J.Harding, I.Franzoni, M.K.Mann, M.Szewczyk, B.Mirabi, D.D.G.Owens, S.Ackloo, A.Scheremetjew, K.A.Juarez-Ornelas, R.Sanichar, R.J.Baker, C.Dank, P.J.Brown, D.Barsyte-Lovejoy, V.Santhakumar, M.Schapira, M.Lautens, C.H.Arrowsmith. Discovery and Characterization of A Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6 To Be Published.
Page generated: Tue Jul 30 09:53:40 2024

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