Zinc in PDB 5utj: Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine

Enzymatic activity of Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine

All present enzymatic activity of Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine:
2.4.2.29;

Protein crystallography data

The structure of Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine, PDB code: 5utj was solved by E.Hassaan, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.50 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 89.142, 64.759, 70.451, 90.00, 93.15, 90.00
R / Rfree (%) 14.7 / 17.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine (pdb code 5utj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine, PDB code: 5utj:

Zinc binding site 1 out of 1 in 5utj

Go back to Zinc Binding Sites List in 5utj
Zinc binding site 1 out of 1 in the Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine


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 Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6- Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:15.3
occ:0.81
 ND1 A:HIS349 2.1 16.9 1.0
SG A:CYS320 2.3 17.8 1.0
SG A:CYS323 2.3 18.8 1.0
SG A:CYS318 2.3 20.4 1.0
CE1 A:HIS349 2.9 17.6 1.0
HE1 A:HIS349 3.0 21.1 1.0
HB3 A:CYS318 3.0 25.6 1.0
HB2 A:CYS323 3.0 21.6 1.0
HB3 A:CYS320 3.2 22.2 1.0
CB A:CYS318 3.2 21.3 1.0
CG A:HIS349 3.2 14.9 1.0
CB A:CYS323 3.3 18.0 1.0
HB2 A:HIS349 3.3 17.3 1.0
H A:CYS323 3.3 20.6 1.0
CB A:CYS320 3.4 18.5 1.0
H A:CYS320 3.4 25.1 1.0
HA A:HIS349 3.6 17.6 1.0
HB2 A:CYS318 3.6 25.6 1.0
CB A:HIS349 3.7 14.4 1.0
HB A:VAL322 3.9 20.0 1.0
N A:CYS323 3.9 17.2 1.0
HB3 A:CYS323 4.0 21.6 1.0
NE2 A:HIS349 4.1 18.1 1.0
HB2 A:CYS320 4.1 22.2 1.0
CA A:HIS349 4.1 14.7 1.0
N A:CYS320 4.1 20.9 1.0
HB2 A:LEU314 4.2 21.6 1.0
CA A:CYS323 4.2 17.2 1.0
CA A:CYS320 4.2 19.5 1.0
CD2 A:HIS349 4.3 16.1 1.0
HE22 A:GLN356 4.4 33.5 1.0
HB3 A:ALA352 4.4 20.7 1.0
HD12 A:LEU314 4.5 21.1 1.0
CA A:CYS318 4.5 23.0 1.0
O A:HIS349 4.6 16.6 1.0
H A:ASP315 4.6 23.2 1.0
HB3 A:ASP315 4.6 28.9 1.0
HA A:CYS323 4.6 20.7 1.0
HB3 A:HIS349 4.6 17.3 1.0
O A:CYS320 4.7 19.6 1.0
C A:CYS320 4.7 19.4 1.0
C A:CYS318 4.7 23.1 1.0
H A:VAL322 4.8 21.7 1.0
C A:HIS349 4.8 15.9 1.0
CB A:VAL322 4.8 16.6 1.0
HE2 A:HIS349 4.8 21.8 1.0
C A:VAL322 5.0 17.5 1.0
HA A:CYS318 5.0 27.6 1.0
O A:CYS318 5.0 24.1 1.0

Reference:

E.Hassaan, A.Heine, G.Klebe. Crystal Structure of Tgt in Complex with 2,6-Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine, 2,6-Dioxy-8-Azapurine To Be Published.
Page generated: Wed Dec 16 11:07:08 2020

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