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Atomistry » Chlorine » PDB 3ste-3t4p » 3sww | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 3ste-3t4p » 3sww » |
Chlorine in PDB 3sww: Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-OneEnzymatic activity of Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
All present enzymatic activity of Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One:
3.4.14.5; Protein crystallography data
The structure of Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One, PDB code: 3sww
was solved by
H.E.Klei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
(pdb code 3sww). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One, PDB code: 3sww: Jump to Chlorine binding site number: 1; 2; 3; 4; Chlorine binding site 1 out of 4 in 3swwGo back to Chlorine Binding Sites List in 3sww
Chlorine binding site 1 out
of 4 in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
Mono view Stereo pair view
Chlorine binding site 2 out of 4 in 3swwGo back to Chlorine Binding Sites List in 3sww
Chlorine binding site 2 out
of 4 in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
Mono view Stereo pair view
Chlorine binding site 3 out of 4 in 3swwGo back to Chlorine Binding Sites List in 3sww
Chlorine binding site 3 out
of 4 in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
Mono view Stereo pair view
Chlorine binding site 4 out of 4 in 3swwGo back to Chlorine Binding Sites List in 3sww
Chlorine binding site 4 out
of 4 in the Crystal Structure of Human Dpp-IV in Complex with Sa-(+)-3- (Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)- 2-Methyl- 5H-Pyrrolo[3,4-B]Pyridin-7(6H)-One
Mono view Stereo pair view
Reference:
W.Wang,
P.Devasthale,
A.Wang,
T.Harrity,
D.Egan,
N.Morgan,
M.Cap,
A.Fura,
H.E.Klei,
K.Kish,
C.Weigelt,
L.Sun,
P.Levesque,
Y.X.Li,
R.Zahler,
M.S.Kirby,
L.G.Hamann.
7-Oxopyrrolopyridine-Derived DPP4 Inhibitors-Mitigation of Cyp and Herg Liabilities Via Introduction of Polar Functionalities in the Active Site. Bioorg.Med.Chem.Lett. V. 21 6646 2011.
Page generated: Sat Dec 12 10:11:06 2020
ISSN: ISSN 0960-894X PubMed: 21996520 DOI: 10.1016/J.BMCL.2011.09.074 |
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