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Question: How To Confirm The Presence Of 3D Structure Of A Small Molecule?
2
gravatar for Lavanya
8.3 years ago by
Lavanya • 30
Lavanya • 30 wrote:

how to confirm the presence of a 3d structure of a small molecule? is there any database to confirm or is there any method to confirm?
structure • 1.5k views
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modified 5.4 years ago by Biostar ♦♦ 20 • written 8.3 years ago by Lavanya • 30
6
gravatar for Pals
8.3 years ago by
Pals • 1.3k
Finland
Pals • 1.3k wrote:

Of course you can have a look on PDB. Otherwise there are also dozens of databases dedicated for small molecules: for example PubChem http://pubchem.ncbi.nlm.nih.gov/, or the one maintained by EBI http://www.ebi.ac.uk/Databases/smallmolecules.html. Search your small molecule by its name and hopefully you will get the structure if it has been deposited.
ADD COMMENT • link written 8.3 years ago by Pals • 1.3k
5
gravatar for Woa
8.3 years ago by
Woa • 2.7k
United States
Woa • 2.7k wrote:

CCDC, The Cambridge crystallographic data centre contains many small molecule structures possibly more than PDB
ADD COMMENT • link modified 8.3 years ago • written 8.3 years ago by Woa • 2.7k
3
gravatar for Chris
8.3 years ago by
Chris • 1.6k
Munich
Chris • 1.6k wrote:

Not sure what you mean by 'presence'. Take a look at pdb perhaps, which contains protein structures having small molecules bound.
ADD COMMENT • link written 8.3 years ago by Chris • 1.6k
3
gravatar for Egon Willighagen
8.3 years ago by
Egon Willighagen ♦ 5.2k
Maastricht
Egon Willighagen ♦ 5.2k wrote:

There is no public index that spans multiple databases. But there are some open resources for experimental crystal structures of small molecules:
ADD COMMENT • link modified 8.3 years ago • written 8.3 years ago by Egon Willighagen ♦ 5.2k
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