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- ChemComp-IQT: Korormicin -

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Basic information

EntryDatabase: PDB chemical components / ID: IQT
NameName: Korormicin

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Chemical information

Composition
Formula: C25H39NO5 / Number of atoms: 70 / Formula weight: 433.581 / Formal charge: 0
Others

7xk7

Type: non-polymer / PDB classification: HETAIN / Three letter code: IQT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7XK7
History
Create componentJul 11, 2022
Initial releaseJul 20, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O
OpenEye OEToolkits 2.0.7CCCCCCCCC1C(O1)CC=CC=CC(CC(=O)NC2=CC(OC2=O)(C)CC)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCC[C@H]1O[C@H]1C\C=C\C=C/[C@H](O)CC(=O)NC2=C[C@](C)(CC)OC2=O
OpenEye OEToolkits 2.0.7CCCCCCCC[C@@H]1[C@@H](O1)CC=CC=C[C@@H](CC(=O)NC2=C[C@](OC2=O)(C)CC)O

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InChI

InChI 1.06InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1

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InChIKey

InChI 1.06OXOAWIMFJLEQMT-JFWAKSGWSA-N

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PDB entries

Showing all 5 items

PDB-7xk7:
Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, with korormicin

PDB-9lrr:
Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-G141A mutant from Vibrio cholerae with bound korormicin A

PDB-9ud5:
Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase from Vibrio cholerae reduced by NADH, with bound korormicin A

PDB-9uda:
Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-G141A mutant from Vibrio cholerae reduced by NADH, with bound korormicin A, stable state

PDB-9udf:
Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-G141A mutant from Vibrio cholerae reduced by NADH, with bound korormicin A, shifted state

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