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Chlorine in PDB 2wb5: Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation

Enzymatic activity of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation

All present enzymatic activity of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation:
3.2.1.35; 3.2.1.52;

Protein crystallography data

The structure of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation, PDB code: 2wb5 was solved by H.C.Dorfmueller, V.S.Borodkin, M.Schimpl, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.95 / 2.31
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 129.817, 145.723, 152.331, 90.00, 90.00, 90.00
R / Rfree (%) 18.635 / 23.691

Other elements in 2wb5:

The structure of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation (pdb code 2wb5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation, PDB code: 2wb5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2wb5

Go back to Chlorine Binding Sites List in 2wb5
Chlorine binding site 1 out of 5 in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1625

b:45.5
occ:1.00
 O A:ALA597 2.3 26.7 1.0
O A:ALA602 2.4 21.2 1.0
O A:SER600 2.7 26.0 1.0
OE1 A:GLU557 3.0 30.4 1.0
C A:SER600 3.4 27.3 1.0
C A:ALA597 3.5 27.2 1.0
C A:ALA602 3.6 22.1 1.0
CB A:SER600 3.6 27.6 1.0
N A:SER600 3.7 27.7 1.0
CD A:GLU557 3.8 30.6 1.0
CA A:SER600 3.8 27.9 1.0
O A:LEU598 4.0 28.6 1.0
C A:LEU598 4.1 28.8 1.0
CG2 A:VAL603 4.2 21.4 1.0
OE2 A:GLU557 4.2 29.8 1.0
O A:HOH2276 4.2 30.9 1.0
OG A:SER600 4.2 32.0 1.0
CA A:VAL603 4.3 21.6 1.0
N A:ALA602 4.3 24.4 1.0
CA A:LEU598 4.4 28.4 1.0
N A:VAL603 4.4 21.8 1.0
C A:PHE601 4.4 25.7 1.0
N A:LEU598 4.4 27.8 1.0
N A:PHE601 4.4 27.2 1.0
CA A:ALA597 4.4 26.4 1.0
O A:PHE601 4.6 25.9 1.0
CA A:ALA602 4.6 23.2 1.0
C A:SER599 4.6 28.9 1.0
N A:SER599 4.7 28.9 1.0
CB A:VAL603 4.8 21.8 1.0
CA A:PHE601 4.9 25.9 1.0
CG A:GLU557 4.9 28.3 1.0

Chlorine binding site 2 out of 5 in 2wb5

Go back to Chlorine Binding Sites List in 2wb5
Chlorine binding site 2 out of 5 in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1626

b:65.5
occ:1.00
 N A:PHE265 3.4 37.2 1.0
N A:ASP266 3.8 38.7 1.0
CA A:ARG264 4.1 36.3 1.0
C A:ARG264 4.2 36.7 1.0
CA A:PHE265 4.2 37.3 1.0
OD2 A:ASP266 4.3 42.0 1.0
CB A:ASP266 4.3 39.7 1.0
CG A:ARG264 4.3 38.0 1.0
CB A:PHE265 4.3 36.9 1.0
CB A:ARG264 4.4 36.6 1.0
CD2 A:PHE265 4.5 35.4 1.0
CG A:ASP266 4.5 41.2 1.0
C A:PHE265 4.5 38.0 1.0
CA A:ASP266 4.7 39.1 1.0
NZ A:LYS306 4.8 39.2 1.0
CG A:PHE265 4.9 36.5 1.0

Chlorine binding site 3 out of 5 in 2wb5

Go back to Chlorine Binding Sites List in 2wb5
Chlorine binding site 3 out of 5 in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1625

b:50.9
occ:1.00
 OH B:TYR456 3.6 27.7 1.0
NE2 B:HIS413 3.7 23.4 1.0
O B:HOH2249 4.0 38.5 1.0
CZ B:TYR456 4.4 29.6 1.0
CE1 B:HIS413 4.4 24.0 1.0
CE2 B:TYR456 4.5 28.0 1.0
O B:HOH2214 4.5 37.5 1.0
CD2 B:HIS413 4.8 25.8 1.0

Chlorine binding site 4 out of 5 in 2wb5

Go back to Chlorine Binding Sites List in 2wb5
Chlorine binding site 4 out of 5 in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1626

b:60.9
occ:1.00
 NZ B:LYS593 3.5 20.2 1.0
CD B:LYS593 3.8 18.6 1.0
OG1 B:THR560 3.8 25.1 1.0
OG1 B:THR596 3.8 23.3 1.0
O B:HOH2310 4.1 34.3 1.0
CE B:LYS593 4.1 21.1 1.0
CG2 B:THR560 4.2 21.9 1.0
CG2 B:THR596 4.2 20.1 1.0
CB B:THR596 4.3 22.6 1.0
CB B:THR560 4.6 22.9 1.0
OE1 B:GLN563 4.8 22.9 1.0
O B:HOH2309 5.0 23.5 1.0

Chlorine binding site 5 out of 5 in 2wb5

Go back to Chlorine Binding Sites List in 2wb5
Chlorine binding site 5 out of 5 in the Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glcnacstatins Are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1627

b:57.7
occ:1.00
 N B:PHE265 3.4 30.9 1.0
N B:ASP266 3.8 30.9 1.0
CA B:ARG264 4.1 31.5 1.0
CB B:ARG264 4.1 31.6 1.0
C B:ARG264 4.2 31.1 1.0
CA B:PHE265 4.2 30.8 1.0
CB B:PHE265 4.5 30.9 1.0
C B:PHE265 4.5 31.2 1.0
OD2 B:ASP266 4.5 35.5 1.0
CG B:ARG264 4.5 32.5 1.0
CB B:ASP266 4.5 31.0 1.0
CG B:ASP266 4.6 33.3 1.0
CA B:ASP266 4.7 30.8 1.0
CD2 B:PHE265 4.8 30.6 1.0

Reference:

H.C.Dorfmueller, V.S.Borodkin, M.Schimpl, D.M.F.Van Aalten. Glcnacstatins Are Nanomolar Inhibitors of Human O- Glcnacase Inducing Cellular Hyper-O-Glcnacylation Biochem.J. V. 420 221 2009.
ISSN: ISSN 0264-6021
PubMed: 19275764
DOI: 10.1042/BJ20090110
Page generated: Sat Jul 20 12:39:18 2024

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