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Zinc in PDB 5d1c: Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate

Enzymatic activity of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate

All present enzymatic activity of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate, PDB code: 5d1c was solved by C.Decroos, N.H.Christianson, L.E.Gullett, C.M.Bowman, K.E.Christianson, M.A.Deardorff, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.35 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.031, 97.936, 104.656, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 16.7

Other elements in 5d1c:

The structure of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate also contains other interesting chemical elements:

Potassium (K) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate (pdb code 5d1c). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate, PDB code: 5d1c:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5d1c

Go back to Zinc Binding Sites List in 5d1c
Zinc binding site 1 out of 2 in the Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn403

b:11.1
occ:1.00
OD2 A:ASP178 2.0 9.7 1.0
OD2 A:ASP267 2.0 9.9 1.0
OH C:ALY5 2.1 10.5 1.0
ND1 A:HIS180 2.1 9.2 1.0
O A:HOH547 2.1 11.6 1.0
CG A:ASP178 2.8 10.4 1.0
CE1 A:HIS180 3.0 8.5 1.0
CH C:ALY5 3.0 12.4 1.0
OD1 A:ASP178 3.1 10.8 1.0
CG A:ASP267 3.1 10.2 1.0
CG A:HIS180 3.2 8.4 1.0
OD1 A:ASP267 3.4 9.6 1.0
CB A:HIS180 3.6 8.7 1.0
NZ C:ALY5 3.8 10.6 1.0
N A:HIS180 3.8 9.2 1.0
CE C:ALY5 3.9 10.8 1.0
CH3 C:ALY5 3.9 13.5 1.0
CA A:GLY304 4.1 10.4 1.0
NE2 A:HIS180 4.1 9.6 1.0
CD2 A:HIS180 4.2 9.6 1.0
CB A:ASP178 4.3 10.7 1.0
N A:GLY304 4.3 10.3 1.0
N A:LEU179 4.3 9.0 1.0
NE2 A:HIS142 4.3 12.4 1.0
CA A:HIS180 4.4 9.0 1.0
CB A:ASP267 4.4 8.8 1.0
CB A:LEU179 4.6 9.8 1.0
NE2 A:HIS143 4.6 10.7 1.0
C A:LEU179 4.8 9.7 1.0
CE2 A:PHE306 4.8 10.5 1.0
CA A:LEU179 4.8 9.2 1.0
CE1 A:HIS142 4.9 11.7 1.0
C A:ASP178 5.0 9.0 1.0

Zinc binding site 2 out of 2 in 5d1c

Go back to Zinc Binding Sites List in 5d1c
Zinc binding site 2 out of 2 in the Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of D233G-Y306F HDAC8 in Complex with A Tetrapeptide Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn403

b:10.7
occ:1.00
OD2 B:ASP178 2.0 9.0 1.0
OD2 B:ASP267 2.0 10.2 1.0
OH D:ALY5 2.1 9.9 1.0
O B:HOH554 2.1 10.8 1.0
ND1 B:HIS180 2.1 8.9 1.0
CG B:ASP178 2.9 9.4 1.0
CE1 B:HIS180 3.0 8.6 1.0
CH D:ALY5 3.0 10.5 1.0
OD1 B:ASP178 3.0 10.1 1.0
CG B:ASP267 3.1 10.3 1.0
CG B:HIS180 3.2 8.2 1.0
OD1 B:ASP267 3.4 9.9 1.0
CB B:HIS180 3.6 7.7 1.0
NZ D:ALY5 3.8 8.8 1.0
N B:HIS180 3.8 8.8 1.0
CE D:ALY5 3.9 9.8 1.0
CH3 D:ALY5 3.9 11.7 1.0
NE2 B:HIS180 4.1 8.7 1.0
CA B:GLY304 4.2 9.1 1.0
CD2 B:HIS180 4.2 8.3 1.0
CB B:ASP178 4.3 9.8 1.0
NE2 B:HIS142 4.3 11.4 1.0
N B:LEU179 4.3 9.3 1.0
CA B:HIS180 4.4 9.0 1.0
N B:GLY304 4.4 9.3 1.0
CB B:ASP267 4.4 9.3 1.0
CB B:LEU179 4.5 9.1 1.0
NE2 B:HIS143 4.6 9.8 1.0
C B:LEU179 4.8 9.4 1.0
CA B:LEU179 4.8 8.9 1.0
CE2 B:PHE306 4.8 10.9 1.0
CE1 B:HIS142 4.9 10.2 1.0
C B:ASP178 5.0 8.8 1.0

Reference:

C.Decroos, N.H.Christianson, L.E.Gullett, C.M.Bowman, K.E.Christianson, M.A.Deardorff, D.W.Christianson. Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia De Lange Syndrome Spectrum Disorders. Biochemistry V. 54 6501 2015.
ISSN: ISSN 0006-2960
PubMed: 26463496
DOI: 10.1021/ACS.BIOCHEM.5B00881
Page generated: Wed Dec 16 06:07:42 2020

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