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Chlorine in PDB 7ni1: Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
Enzymatic activity of Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
All present enzymatic activity of Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9:
1.11.2.2;
1.11.2.2;
Protein crystallography data
The structure of Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9, PDB code: 7ni1
was solved by
T.Sjogren,
T.Inghardt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 46.24 / 2.11 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 93.22, 63.82, 111.34, 90, 97.24, 90 |
| R / Rfree (%) | 21.7 / 25.6 |
Other elements in 7ni1:
The structure of Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9 also contains other interesting chemical elements:
| Iron | (Fe) | 2 atoms |
| Calcium | (Ca) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
(pdb code 7ni1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9, PDB code: 7ni1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9, PDB code: 7ni1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;
Chlorine binding site 1 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 1 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 2 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 2 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 3 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 3 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 4 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 4 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 5 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 5 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 6 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 6 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Chlorine binding site 7 out of 7 in 7ni1
Go back to
Chlorine Binding Sites List in 7ni1
Chlorine binding site 7 out
of 7 in the Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9
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 7 of Crystal Structure of Native Human Myeloperoxidase in Complex with Cpd 9 within 5.0Å range:
|
Reference:
T.Inghardt,
T.Antonsson,
C.Ericsson,
D.Hovdal,
P.Johannesson,
C.Johansson,
U.Jurva,
J.Kajanus,
B.Kull,
E.Michaelsson,
A.Pettersen,
T.Sjogren,
H.Sorensen,
K.Westerlund,
E.L.Lindstedt.
Discovery of AZD4831, A Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As A Potential Treatment For Heart Failure with Preserved Ejection Fraction. J.Med.Chem. V. 65 11485 2022.
ISSN: ISSN 0022-2623
PubMed: 36005476
DOI: 10.1021/ACS.JMEDCHEM.1C02141
Page generated: Tue Jul 30 00:55:25 2024
ISSN: ISSN 0022-2623
PubMed: 36005476
DOI: 10.1021/ACS.JMEDCHEM.1C02141
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