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Zinc in PDB 6fso: Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine

Enzymatic activity of Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine

All present enzymatic activity of Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine:
2.4.2.29;

Protein crystallography data

The structure of Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine, PDB code: 6fso 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) 43.29 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.460, 64.713, 70.552, 90.00, 95.71, 90.00
R / Rfree (%) 16.6 / 18.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine (pdb code 6fso). 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 Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine, PDB code: 6fso:

Zinc binding site 1 out of 1 in 6fso

Go back to Zinc Binding Sites List in 6fso
Zinc binding site 1 out of 1 in the Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine


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 Methyl({[5-(Pyridin-3-Yloxy) Furan-2-Yl]Methyl})Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:10.4
occ:1.00
ND1 A:HIS349 2.1 9.6 1.0
SG A:CYS323 2.3 9.9 1.0
SG A:CYS318 2.3 10.9 1.0
SG A:CYS320 2.3 9.2 1.0
CE1 A:HIS349 2.9 8.8 1.0
HE1 A:HIS349 2.9 10.5 1.0
HB3 A:CYS318 3.0 16.5 1.0
HB2 A:CYS323 3.1 13.5 1.0
HB3 A:CYS320 3.2 11.1 1.0
CG A:HIS349 3.2 6.5 1.0
CB A:CYS318 3.3 13.8 1.0
CB A:CYS323 3.3 11.2 1.0
CB A:CYS320 3.4 9.2 1.0
H A:CYS323 3.4 13.0 1.0
HB2 A:HIS349 3.4 8.9 1.0
H A:CYS320 3.5 11.0 1.0
HA A:HIS349 3.5 7.9 1.0
HB2 A:CYS318 3.7 16.5 1.0
CB A:HIS349 3.7 7.4 1.0
HB A:VAL322 3.9 12.8 1.0
N A:CYS323 4.0 10.8 1.0
HB3 A:CYS323 4.0 13.5 1.0
NE2 A:HIS349 4.1 9.6 1.0
CA A:HIS349 4.1 6.6 1.0
HB2 A:CYS320 4.1 11.1 1.0
N A:CYS320 4.2 9.2 1.0
HB2 A:LEU314 4.2 11.8 1.0
CA A:CYS323 4.2 11.2 1.0
CD2 A:HIS349 4.3 7.4 1.0
CA A:CYS320 4.3 10.2 1.0
HB3 A:ALA352 4.5 11.6 1.0
HB3 A:ASP315 4.5 17.1 1.0
H A:ASP315 4.5 13.6 1.0
O A:HIS349 4.5 7.8 1.0
HD12 A:LEU314 4.6 13.3 1.0
HA A:CYS323 4.6 13.4 1.0
CA A:CYS318 4.6 12.7 1.0
HB3 A:HIS349 4.7 8.9 1.0
O A:CYS320 4.7 10.1 1.0
C A:CYS320 4.7 11.9 1.0
H A:VAL322 4.8 14.3 1.0
C A:HIS349 4.8 8.1 1.0
C A:CYS318 4.8 16.5 1.0
HE2 A:HIS349 4.8 11.5 1.0
HE22 A:GLN356 4.8 21.6 1.0
CB A:VAL322 4.9 10.7 1.0
C A:VAL322 5.0 11.3 1.0

Reference:

E.Hassaan, A.Heine, G.Klebe. Crystal Structure of Tgt in Complex with Methyl({[5-(Pyridin-3-Yloxy)Furan-2-Yl]Methyl})Amine To Be Published.
Page generated: Mon Oct 28 21:23:43 2024

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