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Chlorine in PDB 3nty: Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid
Enzymatic activity of Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid
All present enzymatic activity of Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid:
1.1.1.112; 1.1.1.149; 1.3.1.20;
1.1.1.112; 1.1.1.149; 1.3.1.20;
Protein crystallography data
The structure of Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid, PDB code: 3nty
was solved by
U.Dhagat,
O.El-Kabbani,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.62 / 1.87 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 39.607, 84.052, 49.051, 90.00, 91.41, 90.00 |
| R / Rfree (%) | 18.5 / 25.3 |
Other elements in 3nty:
The structure of Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid
(pdb code 3nty). 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 Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid, PDB code: 3nty:
In total only one binding site of Chlorine was determined in the Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid, PDB code: 3nty:
Chlorine binding site 1 out of 1 in 3nty
Go back to
Chlorine Binding Sites List in 3nty
Chlorine binding site 1 out
of 1 in the Crystal Structure of AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid
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 AKR1C1 in Complex with Nadp and 5-Phenyl,3- Chlorosalicylic Acid within 5.0Å range:
|
Reference:
O.El-Kabbani,
U.Dhagat,
M.Soda,
S.Endo,
T.Matsunaga,
A.Hara.
Probing the Inhibitor Selectivity Pocket of Human 20 Alpha-Hydroxysteroid Dehydrogenase (AKR1C1) with X-Ray Crystallography and Site-Directed Mutagenesis Bioorg.Med.Chem.Lett. V. 21 2564 2011.
ISSN: ISSN 0960-894X
PubMed: 21414777
DOI: 10.1016/J.BMCL.2011.01.076
Page generated: Fri Jul 11 08:28:03 2025
ISSN: ISSN 0960-894X
PubMed: 21414777
DOI: 10.1016/J.BMCL.2011.01.076
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