Zinc in PDB 7a6d: Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol

Enzymatic activity of Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol

All present enzymatic activity of Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol:
2.4.2.29;

Protein crystallography data

The structure of Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol, PDB code: 7a6d was solved by D.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.79 / 1.59
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 127.868, 127.868, 115.189, 90, 90, 120
R / Rfree (%) 14.8 / 17.8

Other elements in 7a6d:

The structure of Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol (pdb code 7a6d). 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 Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol, PDB code: 7a6d:

Zinc binding site 1 out of 1 in 7a6d

Go back to Zinc Binding Sites List in 7a6d
Zinc binding site 1 out of 1 in the Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Trna-Guanine Transglycosylase C158S/C281S/Y330C/H333A Mutant in Complex with Rac-Trans-4,4-Difluorocyclopentane-1,2-Diol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:20.4
occ:1.00
ND1 A:HIS349 2.1 18.0 1.0
SG A:CYS318 2.3 21.0 1.0
SG A:CYS320 2.3 20.5 1.0
SG A:CYS323 2.3 21.5 1.0
CE1 A:HIS349 2.9 21.2 1.0
HE1 A:HIS349 3.0 25.4 1.0
HB2 A:CYS323 3.0 25.3 1.0
HB3 A:CYS318 3.0 26.1 1.0
HB3 A:CYS320 3.2 25.0 1.0
CG A:HIS349 3.2 18.5 1.0
CB A:CYS318 3.3 21.8 1.0
CB A:CYS323 3.3 21.1 1.0
HB2 A:HIS349 3.3 21.6 1.0
H A:CYS323 3.3 26.1 1.0
CB A:CYS320 3.4 20.9 1.0
H A:CYS320 3.4 24.4 0.5
H A:CYS320 3.5 24.4 0.5
HA A:HIS349 3.6 20.5 1.0
CB A:HIS349 3.7 18.0 1.0
HB2 A:CYS318 3.7 26.1 1.0
HB A:VAL322 3.9 25.4 1.0
N A:CYS323 3.9 21.7 1.0
HB3 A:CYS323 4.0 25.3 1.0
NE2 A:HIS349 4.1 20.2 1.0
CA A:HIS349 4.1 17.1 1.0
N A:CYS320 4.1 20.3 1.0
HB2 A:CYS320 4.1 25.0 1.0
CA A:CYS323 4.2 22.0 1.0
CD2 A:HIS349 4.2 19.9 1.0
CA A:CYS320 4.2 20.8 1.0
HB2 A:LEU314 4.3 23.5 1.0
O A:HIS349 4.5 17.9 1.0
HE22 A:GLN356 4.5 33.2 1.0
HB3 A:ASP315 4.5 27.8 1.0
HD12 A:LEU314 4.5 25.2 1.0
HB3 A:ALA352 4.5 22.1 1.0
CA A:CYS318 4.5 21.4 1.0
HA A:CYS323 4.5 26.4 1.0
HB3 A:HIS349 4.6 21.6 1.0
H A:ASP315 4.6 26.4 1.0
C A:CYS318 4.6 20.7 1.0
C A:HIS349 4.7 18.1 1.0
C A:CYS320 4.7 22.4 1.0
HB2 A:PHE353 4.7 24.5 1.0
O A:CYS320 4.7 21.2 1.0
O A:CYS318 4.8 23.0 1.0
H A:VAL322 4.8 26.1 1.0
CB A:VAL322 4.8 21.1 1.0
HE2 A:HIS349 4.8 24.2 1.0
C A:VAL322 4.9 22.7 1.0

Reference:

D.Nguyen, X.Xie, S.Jakobi, F.Terwesten, A.Metz, T.X.P.Nguyen, V.A.Palchykov, A.Heine, K.Reuter, G.Klebe. Targeting A Cryptic Pocket in A Protein-Protein Contact By Disulfide-Induced Rupture of A Homodimeric Interface Acs Chem.Biol. 2021.
ISSN: ESSN 1554-8937
DOI: 10.1021/ACSCHEMBIO.1C00296
Page generated: Mon Jul 12 16:50:43 2021

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