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Chlorine in PDB 6zgv: Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide

Enzymatic activity of Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide

All present enzymatic activity of Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide:
2.7.1.6;

Protein crystallography data

The structure of Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide, PDB code: 6zgv was solved by S.R.Mackinnon, G.A.Bezerra, M.Zhang, W.Foster, T.Krojer, J.Brandao-Neto, A.Douangamath, C.Arrowsmith, A.Edwards, C.Bountra, P.Brennan, K.Lai, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.46 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.560, 114.460, 121.010, 90.00, 100.39, 90.00
R / Rfree (%) 20.7 / 24.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide (pdb code 6zgv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide, PDB code: 6zgv:

Chlorine binding site 1 out of 1 in 6zgv

Go back to Chlorine Binding Sites List in 6zgv
Chlorine binding site 1 out of 1 in the Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:44.2
occ:1.00
 CL D:QKZ401 0.0 44.2 1.0
C D:QKZ401 1.7 47.2 1.0
C11 D:QKZ401 2.7 46.2 1.0
C1 D:QKZ401 2.7 42.4 1.0
CD1 D:LEU40 3.9 33.6 1.0
C2 D:QKZ401 4.0 45.0 1.0
C10 D:QKZ401 4.0 46.3 1.0
CD1 D:LEU355 4.0 33.2 1.0
CE2 D:PHE303 4.0 30.8 1.0
CD2 D:LEU295 4.1 29.2 1.0
CD2 D:PHE303 4.1 30.9 1.0
CD2 D:LEU355 4.2 33.1 1.0
CD2 D:LEU213 4.3 40.8 1.0
CZ D:PHE303 4.4 29.4 1.0
C3 D:QKZ401 4.5 45.9 1.0
CD1 D:TYR300 4.5 36.1 1.0
CG D:LEU355 4.7 33.2 1.0
CG D:PHE303 4.7 30.5 1.0
CE1 D:TYR300 4.7 37.2 1.0
CD1 D:LEU213 4.8 42.0 1.0
CE1 D:PHE303 4.9 29.3 1.0
CD2 D:LEU40 4.9 32.3 1.0

Reference:

S.R.Mackinnon, T.Krojer, W.R.Foster, M.Tang, F.Von Delft, K.Lai, P.Brennan, G.A.Bezerra, W.W.Yue. Fragment Screening Reveals Starting Points For Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia To Be Published.
Page generated: Mon Jul 29 18:04:11 2024

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