Atomistry » Zinc » PDB 5e9e-5ehh » 5efh
Atomistry »
  Zinc »
    PDB 5e9e-5ehh »
      5efh »

Zinc in PDB 5efh: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue

Enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue, PDB code: 5efh was solved by Y.Hai, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.71 / 2.16
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.659, 92.414, 96.158, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 24.2

Other elements in 5efh:

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Potassium (K) 4 atoms
Bromine (Br) 7 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue (pdb code 5efh). 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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue, PDB code: 5efh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5efh

Go back to Zinc Binding Sites List in 5efh
Zinc binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue


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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn2001

b:16.1
occ:1.00
O13 D:FKS2004 1.9 11.5 1.0
OD2 D:ASP705 2.0 12.0 1.0
OD1 D:ASP612 2.1 9.8 1.0
ND1 D:HIS614 2.2 13.2 1.0
O14 D:FKS2004 2.4 11.7 1.0
C11 D:FKS2004 2.7 12.3 1.0
OD2 D:ASP612 2.7 10.8 1.0
CG D:ASP612 2.7 11.2 1.0
CE1 D:HIS614 3.0 13.9 1.0
CG D:ASP705 3.1 12.1 1.0
CG D:HIS614 3.3 13.6 1.0
OD1 D:ASP705 3.5 11.8 1.0
F16 D:FKS2004 3.5 14.6 1.0
C12 D:FKS2004 3.7 14.1 1.0
CB D:HIS614 3.7 13.4 1.0
C10 D:FKS2004 3.8 12.3 1.0
C9 D:FKS2004 3.8 12.5 1.0
N D:HIS614 3.9 13.6 1.0
CA D:GLY743 4.1 11.0 1.0
NE2 D:HIS614 4.2 14.8 1.0
CB D:ASP612 4.2 10.8 1.0
N D:VAL613 4.3 12.7 1.0
OH D:TYR745 4.3 11.5 1.0
CD2 D:HIS614 4.3 14.6 1.0
CB D:ASP705 4.3 12.5 1.0
NE2 D:HIS573 4.4 11.5 1.0
CG1 D:VAL613 4.4 11.7 1.0
F17 D:FKS2004 4.4 14.4 1.0
CA D:HIS614 4.4 13.8 1.0
CE2 D:TYR745 4.4 11.4 1.0
N D:GLY743 4.6 10.6 1.0
F15 D:FKS2004 4.7 14.8 1.0
CE1 D:HIS573 4.8 11.7 1.0
NE2 D:HIS574 4.8 13.1 1.0
C D:ASP612 4.8 13.6 1.0
C D:VAL613 4.9 14.2 1.0
CZ D:TYR745 4.9 11.3 1.0
N D:GLY744 4.9 11.7 1.0
C D:GLY743 4.9 11.1 1.0
CA D:ASP612 4.9 11.3 1.0
CA D:VAL613 5.0 13.7 1.0

Zinc binding site 2 out of 2 in 5efh

Go back to Zinc Binding Sites List in 5efh
Zinc binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue


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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Trifluoroketone Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2001

b:17.0
occ:1.00
O13 A:FKS2004 1.9 9.7 1.0
OD2 A:ASP705 2.0 15.8 1.0
OD1 A:ASP612 2.1 11.9 1.0
ND1 A:HIS614 2.2 13.8 1.0
O14 A:FKS2004 2.6 9.8 1.0
C11 A:FKS2004 2.7 11.1 1.0
CG A:ASP612 2.8 11.2 1.0
OD2 A:ASP612 2.8 10.7 1.0
CG A:ASP705 3.0 16.1 1.0
CE1 A:HIS614 3.1 14.6 1.0
CG A:HIS614 3.2 14.4 1.0
OD1 A:ASP705 3.3 16.2 1.0
F16 A:FKS2004 3.5 14.7 1.0
CB A:HIS614 3.6 14.1 1.0
C12 A:FKS2004 3.7 14.0 1.0
C9 A:FKS2004 3.8 11.6 1.0
N A:HIS614 3.8 13.9 1.0
C10 A:FKS2004 3.9 11.2 1.0
CA A:GLY743 4.2 12.5 1.0
CG1 A:VAL613 4.2 14.9 1.0
CB A:ASP612 4.2 11.2 1.0
OH A:TYR745 4.2 14.7 1.0
NE2 A:HIS614 4.2 16.0 1.0
NE2 A:HIS573 4.3 9.4 1.0
N A:VAL613 4.3 14.2 1.0
CD2 A:HIS614 4.3 15.6 1.0
CB A:ASP705 4.3 16.4 1.0
CE2 A:TYR745 4.3 15.1 1.0
CA A:HIS614 4.4 14.9 1.0
F17 A:FKS2004 4.4 14.9 1.0
CE1 A:HIS573 4.6 9.5 1.0
N A:GLY743 4.7 12.2 1.0
CZ A:TYR745 4.8 14.4 1.0
C A:VAL613 4.8 14.7 1.0
F15 A:FKS2004 4.8 14.9 1.0
C A:ASP612 4.8 13.8 1.0
N A:GLY744 4.9 13.5 1.0
CA A:ASP612 4.9 11.8 1.0
C A:GLY743 5.0 12.8 1.0
CA A:VAL613 5.0 14.4 1.0
NE2 A:HIS574 5.0 10.6 1.0

Reference:

Y.Hai, D.W.Christianson. Histone Deacetylase 6 Structure and Molecular Basis of Catalysis and Inhibition. Nat.Chem.Biol. V. 12 741 2016.
ISSN: ESSN 1552-4469
PubMed: 27454933
DOI: 10.1038/NCHEMBIO.2134
Page generated: Sun Oct 27 15:15:04 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy