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Yorodumi- ChemComp-3VL: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-t... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3VL |
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Name | Name: Synonyms: aclacinomycin T |
-Chemical information
Composition | Formula: C30H35NO10 / Number of atoms: 76 / Formula weight: 569.6 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3VL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WXH | ||||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-4wxh:
Carminomycin-4-O-methyltransferase (DnrK) variant (298Ser insert) in complex with S-adenosyl-L-homocysteine (SAH) and aclacinomycin T
PDB-7owb:
Chimeric carminomycin-4-O-methyltransferase (DnrK) with a region from 10-hydroxylase CalMB
PDB-7oy1:
DnrK mutant RTCR
PDB-7phd:
Chimeric carminomycin-4-O-methyltransferase (DnrK) with a region from 10-decarboxylase TamK