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Atomistry » Zinc » PDB 4k4f-4k98 » 4k69 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Zinc » PDB 4k4f-4k98 » 4k69 » |
Zinc in PDB 4k69: Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic AcidEnzymatic activity of Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid
All present enzymatic activity of Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid:
3.4.21.39; Protein crystallography data
The structure of Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid, PDB code: 4k69
was solved by
B.K.Collins,
A.K.Padyana,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4k69:
The structure of Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid
(pdb code 4k69). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid, PDB code: 4k69: Jump to Zinc binding site number: 1; 2; Zinc binding site 1 out of 2 in 4k69Go back to Zinc Binding Sites List in 4k69
Zinc binding site 1 out
of 2 in the Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid
Mono view Stereo pair view
Zinc binding site 2 out of 2 in 4k69Go back to Zinc Binding Sites List in 4k69
Zinc binding site 2 out
of 2 in the Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H- Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid
Mono view Stereo pair view
Reference:
S.J.Taylor,
A.K.Padyana,
A.Abeywardane,
S.Liang,
M.H.Hao,
S.De Lombaert,
J.Proudfoot,
B.S.Farmer,
X.Li,
B.Collins,
L.Martin,
D.R.Albaugh,
M.Hill-Drzewi,
S.S.Pullen,
H.Takahashi.
Discovery of Potent, Selective Chymase Inhibitors Via Fragment Linking Strategies. J.Med.Chem. V. 56 4465 2013.
Page generated: Sun Oct 27 01:45:03 2024
ISSN: ISSN 0022-2623 PubMed: 23659209 DOI: 10.1021/JM400138Z |
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