Atomistry » Chlorine » PDB 6zc8-6zp8 » 6zh0
Atomistry »
  Chlorine »
    PDB 6zc8-6zp8 »
      6zh0 »

Chlorine in PDB 6zh0: 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: 6zh0 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) 118.77 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.529, 115.004, 120.849, 90, 100.65, 90
R / Rfree (%) 23.9 / 29

Other elements in 6zh0:

The structure of Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide also contains other interesting chemical elements:

Fluorine (F) 12 atoms

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 6zh0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human Galactokinase 1 Bound with 2-(4-Chlorophenyl)-N- (Pyrimidin-2-Yl)Acetamide, PDB code: 6zh0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6zh0

Go back to Chlorine Binding Sites List in 6zh0
Chlorine binding site 1 out of 4 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
A:Cl403

b:79.8
occ:0.48
 CL1 A:WNP403 0.0 79.8 0.5
C12 A:WNP403 1.7 80.1 0.5
C14 A:WNP403 2.7 78.0 0.5
C11 A:WNP403 2.7 82.6 0.5
CB A:PHE303 2.9 78.4 1.0
CA A:PHE303 3.6 79.0 1.0
O A:ASP299 3.6 83.2 1.0
CD2 A:LEU355 3.8 75.7 1.0
C08 A:WNP403 4.0 78.6 0.5
C10 A:WNP403 4.0 83.0 0.5
N A:PHE303 4.1 82.1 1.0
CD1 A:LEU295 4.2 69.3 1.0
CA A:TYR300 4.2 84.2 1.0
C A:ASP299 4.3 85.3 1.0
C09 A:WNP403 4.5 81.2 0.5
N A:TYR300 4.5 85.6 1.0
CA A:LEU295 4.6 73.1 1.0
O A:TYR300 4.6 84.0 1.0
C A:TYR300 4.6 85.6 1.0
O06 A:WNP403 4.7 73.2 0.5
CB A:LEU295 4.7 69.8 1.0
O A:ALA291 4.8 69.7 1.0
N A:LEU295 4.8 74.6 1.0
C A:PHE303 5.0 79.3 1.0

Chlorine binding site 2 out of 4 in 6zh0

Go back to Chlorine Binding Sites List in 6zh0
Chlorine binding site 2 out of 4 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 2 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
B:Cl403

b:54.5
occ:0.50
 CL1 B:WNP403 0.0 54.5 0.5
C12 B:WNP403 1.7 53.2 0.5
C14 B:WNP403 2.7 53.5 0.5
C11 B:WNP403 2.7 52.5 0.5
CG2 B:VAL220 3.9 51.0 1.0
C08 B:WNP403 4.0 53.1 0.5
C10 B:WNP403 4.0 51.9 0.5
CD1 B:LEU213 4.0 51.4 1.0
CA B:ALA219 4.1 57.0 1.0
CD2 B:LEU218 4.2 59.8 1.0
C B:ALA219 4.2 55.1 1.0
O B:LEU218 4.2 59.9 1.0
CD1 B:LEU355 4.4 46.7 1.0
CB B:LEU213 4.4 52.7 1.0
N B:ALA219 4.4 58.3 1.0
C09 B:WNP403 4.5 52.2 0.5
O B:ALA219 4.5 55.4 1.0
C B:LEU218 4.5 59.5 1.0
CG B:GLN382 4.6 53.6 1.0
N B:VAL220 4.6 53.6 1.0
CG B:LEU218 4.8 59.5 1.0
CG B:LEU213 4.8 51.7 1.0
O06 B:WNP403 4.9 55.5 0.5

Chlorine binding site 3 out of 4 in 6zh0

Go back to Chlorine Binding Sites List in 6zh0
Chlorine binding site 3 out of 4 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 3 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
E:Cl403

b:49.8
occ:0.46
 CL1 E:WNP403 0.0 49.8 0.5
C12 E:WNP403 1.7 49.1 0.5
C14 E:WNP403 2.7 50.5 0.5
C11 E:WNP403 2.7 49.4 0.5
O E:LEU213 3.2 62.5 1.0
C10 E:WNP403 4.0 49.8 0.5
C08 E:WNP403 4.0 51.6 0.5
CG2 E:VAL220 4.1 45.5 1.0
C E:LEU213 4.1 61.8 1.0
C09 E:WNP403 4.5 50.3 0.5
CB E:LEU213 4.6 56.6 1.0
CB E:LEU218 4.6 58.9 1.0
CD1 E:LEU355 4.8 48.4 1.0
CA E:LEU213 4.8 58.9 1.0
N E:ALA219 4.8 55.6 1.0
C E:LEU218 4.8 58.1 1.0
C E:ALA219 4.9 51.3 1.0
CA E:ALA219 4.9 54.0 1.0
O E:LEU218 5.0 58.9 1.0
O06 E:WNP403 5.0 59.2 0.5

Chlorine binding site 4 out of 4 in 6zh0

Go back to Chlorine Binding Sites List in 6zh0
Chlorine binding site 4 out of 4 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 4 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:43.1
occ:0.46
 CL1 D:WNP401 0.0 43.1 0.5
C12 D:WNP401 1.7 41.5 0.5
C14 D:WNP401 2.7 41.2 0.5
C11 D:WNP401 2.7 41.8 0.5
CD2 D:LEU213 3.6 46.1 1.0
C10 D:WNP401 4.0 40.9 0.5
C08 D:WNP401 4.0 41.0 0.5
CA D:ALA219 4.1 54.8 1.0
CG2 D:VAL220 4.3 49.2 1.0
C D:ALA219 4.3 53.6 1.0
N D:ALA219 4.4 55.9 1.0
CD1 D:LEU355 4.5 44.2 1.0
O D:LEU218 4.5 57.9 1.0
C09 D:WNP401 4.5 40.8 0.5
N D:VAL220 4.5 52.6 1.0
C D:LEU218 4.5 57.3 1.0
CG D:LEU213 4.5 46.0 1.0
CE D:MET55 4.6 43.7 1.0
SD D:MET55 4.6 42.9 1.0
O D:ALA219 4.7 53.0 1.0
CA D:GLN382 4.8 46.5 1.0
CB D:LEU213 4.9 46.9 1.0
CB D:LEU218 4.9 56.6 1.0

Reference:

S.R.Mackinnon, T.Krojer, W.R.Foster, L.Diaz-Saez, M.Tang, K.V.M.Huber, F.Von Delft, K.Lai, P.E.Brennan, G.Arruda Bezerra, W.W.Yue. Fragment Screening Reveals Starting Points For Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol. V. 16 586 2021.
ISSN: ESSN 1554-8937
PubMed: 33724769
DOI: 10.1021/ACSCHEMBIO.0C00498
Page generated: Mon Jul 29 18:04:22 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy