+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 40E |
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Name | Name: |
-Chemical information
Composition | Formula: C5H9NO3 / Number of atoms: 18 / Formula weight: 131.13 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 40E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XDZ | ||||
History |
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External links | UniChem / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 3 items
PDB-4xdz:
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
PDB-5e4r:
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
PDB-6aqj:
Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity.