Chlorine in PDB 6ze8: Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Enzymatic activity of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
All present enzymatic activity of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01:
3.2.1.14;
3.2.1.14;
Protein crystallography data
The structure of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01, PDB code: 6ze8
was solved by
M.Nowotny,
A.Bartlomiejczak,
A.Napiorkowska-Gromadzka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 47.34 / 1.50 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 87.325, 93.744, 281.642, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 12.3 / 16.8 |
Other elements in 6ze8:
The structure of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 also contains other interesting chemical elements:
| Sodium | (Na) | 6 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
(pdb code 6ze8). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01, PDB code: 6ze8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01, PDB code: 6ze8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;
Chlorine binding site 1 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 1 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Chlorine binding site 2 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 2 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Chlorine binding site 3 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 3 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Chlorine binding site 4 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 4 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Chlorine binding site 5 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 5 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Chlorine binding site 6 out of 6 in 6ze8
Go back to
Chlorine Binding Sites List in 6ze8
Chlorine binding site 6 out
of 6 in the Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Human Chitotriosidase-1 (Hchit) Catalytic Domain in Complex with Compound Oatd-01 within 5.0Å range:
|
Reference:
R.Koralewski,
B.Dymek,
M.Mazur,
P.Sklepkiewicz,
S.Olejniczak,
W.Czestkowski,
K.Matyszewski,
G.Andryianau,
P.Niedziejko,
M.Kowalski,
M.Gruza,
B.Borek,
K.Jedrzejczak,
A.Bartoszewicz,
E.Pluta,
A.Rymaszewska,
M.Kania,
T.Rejczak,
S.Piasecka,
M.Mlacki,
M.Mazurkiewicz,
M.Piotrowicz,
M.Salamon,
A.Zagozdzon,
A.Napiorkowska-Gromadzka,
A.Bartlomiejczak,
W.Mozga,
P.Dobrzanski,
K.Dzwonek,
J.Golab,
M.Nowotny,
J.Olczak,
A.Golebiowski.
Discovery of Oatd-01 , A First-in-Class Chitinase Inhibitor As Potential New Therapeutics For Idiopathic Pulmonary Fibrosis. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 33078933
DOI: 10.1021/ACS.JMEDCHEM.0C01179
Page generated: Sat Dec 12 14:46:43 2020
ISSN: ISSN 0022-2623
PubMed: 33078933
DOI: 10.1021/ACS.JMEDCHEM.0C01179
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