+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IP1 |
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Name | Name: |
-Chemical information
Composition | Formula: C14H21N3O6S / Number of atoms: 45 / Formula weight: 359.398 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IP1 / Model coordinates PDB-ID: 1QJE | ||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / CompTox / DrugBank / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 5 items
PDB-1qje:
Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex)
PDB-6y0p:
isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods
PDB-6zao:
Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen.
PDB-6zaq:
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure
PDB-8p46:
IPNS variant N252D in complex with Fe and IPN after O2 exposure