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- BIRD-PRD_000161: Antiamoebin 1 -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000161
StatusStatus: REF ONLY
NameAntiamoebin 1

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BIRD information

TypePeptaibol / Antibiotic
Details
  • ANTIAMOEBIN I IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES. HERE, ANTIAMOEBIN I IS REPRESENTED BY THE SEQUENCE (SEQRES)
  • ANTIAMOEBIN I IS A HEXADECAMERIC HELICAL PEPTIDE. THE N-TERM IS ACETYLATED (RESIDUE 0)
DownloadsMolecular definition / Chemical definition / Family definition
Synonyms
  • ANTIAMOEBIN (PDB)
  • Antiamebin (SciFinder, PubChem)
  • Antibiotic Tu 165 (SciFinder, PubChem)
  • LS-20757 (PubChem)
Annotation
  • Function: antiprotozoal / Info source: PubChem
  • Function: anthelmintic antibiotic / Info source: PubChem
Source
External info
FamilyPeptaibol

Cephaibol A / Cephaibol B / Cephaibol C ...Cephaibol A / Cephaibol B / Cephaibol C / Zervamicin IIB / TRICHOTOXIN A50E / Antiamoebin 1 / Chrysospermin-C / Alamethicin / Trichovirin I-4A / SAMAROSPORIN I

Related structures
  • Cephaibol A ethonol solvate undecahydrate, seqres A16 PHE*-AIB-AIB-AIB-AIB-GLY-LEU-IVA-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-PHE* / CCDC: ETUYOH / PubMed / Reference
  • Cephaibol B ethanol solvate hydrate, seqres A16 PHE*-AIB-AIB-AIB-IVA-GLY-LEU-IVA-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-PHE* / CCDC: ETUYUN / PubMed / Reference
  • Cephaibol C ethanol solvate hydrate, seqres A16 PHE*-AIB-AIB-AIB-AIB-GLY-LEU-IVA-AIB-PRO*-GLN-AIB-PRO*-AIB-PRO-PHE* / CCDC: ETUZAU / PubMed / Reference
  • Acetyl-leucyl-isoleucyl-glutaminyl-isovalyl-isoleucyl-threonyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl-4-hydroxyprolyl-glutaminyl-alpha-aminoisobutyryl-4-hydroxyprolyl-alpha-aminoisobutyryl-prolyl-phenylalaninol decahydrate, (Leucyl)zervamicin decahydrate, seqres A16 LEU*-ILE-GLN-IVA-ILE-THR-AIB-LEU-AIB-PRO*-GLN-AIB-PRO*-AIB-PRO-PHE* / CCDC: KIYPUD / PubMed / Reference
  • acetyl-L-tryptophyl-L-alanyl-bis(alpha-aminoisobutyryl)-L-leucyl-alpha-aminoisobutyryl-L-glutaminyl-tris(alpha-aminoisobutyryl)-L-glutaminyl-L-leucyl-alpha-aminoisobutyryl-L-glutaminyl-L-leucinol, Ampullosporin A acetonitrile solvate dihydrate, seqres A15 TRP*-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU* / CCDC: BEKZIB / PubMed / Reference
  • methyl 1-(N-(N-(benzyloxycarbonyl)-alpha-aminoisobutyryl)-alpha-aminoisobutyryl)-4-hydroxypyrrolidine-2-carboxylate, segment of peptaibol antibiotics (antiamoebins and emericins IIIIV), seqres A3 AIB*-AIB-PRO* / CCDC: ICAJEB / Reference
  • N-octanoyl-alpha-aminoisobutyryl-glycyl-leucyl-(2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxyl)-glycyl-glycyl-leucyl-(2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxyl)-glycyl-isoleucyl-leucine methyl ester, Lipopeptaibol, seqres A11 AIB*-GLY-LEU-GLY*-GLY-GLY-LEU-GLY*-GLY-ILE-LEU* / CCDC: HIKKUH / PubMed / Reference
  • acetyl-L-leucyl-alpha-aminoisobutyryl-L-leucyl-alpha-aminoisobutyryl-L-phenylalaninol, Peptaibolin, AC-L-LEU-AIB-L-LEU-AIB-L-PHOL, seqres A5 LEU*-AIB-LEU-AIB*-PHE* / CCDC: SUWKEA / Reference
  • Antiamoebin I tri-n-octanol clathrate, seqres A16 PHE*-AIB-AIB-AIB-IVA-GLY-LEU-AIB-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-ALA* / CCDC: FEJQOA / PubMed / Reference
  • N-Acetylphenylalanyl-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-valyl-glycyl-leucyl-(alpha-aminoisobutyryl)-alpha-aminoisobutyric acid benzyl ester trihydrate, Emerimicin-(1-9) benzyl ester seqres A9 PHE*-AIB-AIB-AIB-VAL-GLY-LEU-AIB-AIB* / CCDC: IVIGOJ / PubMed / Reference
  • rac-trichogin A IV nonahydrate, bis(octanoyl-L-a-amino-isobutyryl-L-glycyl-L-leucyl-L-a-amino-isobutyryl-L-glycyl-L-glycyl-L-leucyl-L-a-amino-isobutyryl-L-glycyl-L-isoleucyl-leucinol) nonahydrate, seqres A11 AIB*-GLY-LEU-AIB-GLY-GLY-LEU-AIB-GLY-ILE-LEU* / CCDC: MORHUW / Reference
  • Trichotoxin A50E acetonitrile solvate hydrate, seqres A17 AIB*-GLY-AIB-LEU-AIB-GLN-AIB-AIB-AIB-ALA-ALA-AIB-PRO-LEU-AIB-AIB-GLN* / CCDC: MAMMEU / Reference
  • Trichotoxin A50E acetonitrile solvate hydrate, seqres A17 AIB*-GLY-AIB-LEU-AIB-GLN-AIB-AIB-AIB-ALA-ALA-AIB-PRO-LEU-AIB-AIB-GLN* / CCDC: MAMMEU01 / PubMed / Reference

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Chemical information

Composition
Formula: C82H127N17O20 / Formula weight: 1670.988
OthersType: peptide-like
History
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

ACDLabs 12.01O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C(=O)NC(C(=O)N4C(C(=O)NC(C(=O)N3C(C(=O)NC(Cc2ccccc2)CO)CCC3)(C)C)CC(O)C4)(C)CC)CCC(=O)N)(C)C)(C)C)CC(C)C)(C)CC)(C)C)(C)C)C(NC(=O)C(NC(=O)C)Cc5ccccc5)(C)C
CACTVS 3.370CC[C](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[CH](Cc1ccccc1)NC(C)=O)C(=O)NCC(=O)N[CH](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](CCC(N)=O)C(=O)N[C](C)(CC)C(=O)N3C[CH](O)C[CH]3C(=O)NC(C)(C)C(=O)N4CCC[CH]4C(=O)N[CH](CO)Cc5ccccc5
OpenEye OEToolkits 1.7.6CCC(C)(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CC(CC2C(=O)NC(C)(C)C(=O)N3CCCC3C(=O)NC(Cc4ccccc4)CO)O)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(Cc5ccccc5)NC(=O)C

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SMILES CANONICAL

CACTVS 3.370CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@](C)(CC)C(=O)N3C[C@H](O)C[C@H]3C(=O)NC(C)(C)C(=O)N4CCC[C@H]4C(=O)N[C@H](CO)Cc5ccccc5
OpenEye OEToolkits 1.7.6CC[C@](C)(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@](C)(CC)C(=O)N2C[C@@H](C[C@H]2C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)CO)O)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc5ccccc5)NC(=O)C

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InChI

InChI 1.03InChI=1S/C82H127N17O20/c1-20-81(18,96-70(115)78(12,13)94-69(114)77(10,11)93-67(112)75(6,7)90-63(108)55(85-47(5)101)39-49-31-26-23-27-32-49)71(116)84-42-60(105)87-54(37-46(3)4)62(107)89-76(8,9)68(113)95-80(16,17)73(118)98-43-51(102)40-57(98)65(110)88-53(34-35-59(83)104)61(106)92-82(19,21-2)74(119)99-44-52(103)41-58(99)66(111)91-79(14,15)72(117)97-36-28-33-56(97)64(109)86-50(45-100)38-48-29-24-22-25-30-48/h22-27,29-32,46,50-58,100,102-103H,20-21,28,33-45H2,1-19H3,(H2,83,104)(H,84,116)(H,85,101)(H,86,109)(H,87,105)(H,88,110)(H,89,107)(H,90,108)(H,91,111)(H,92,106)(H,93,112)(H,94,114)(H,95,113)(H,96,115)/t50-,51-,52-,53-,54-,55+,56?,57-,58-,81-,82-/m1/s1

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InChIKey

InChI 1.03LGSGBGFDMUQNNJ-CWLSIFGJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01There are more than 8 acyclic senior suffix groups!
OpenEye OEToolkits 1.7.6(2S)-2-[[(2S,4R)-1-[2-[[2-[[(2S)-2-[2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-N-[(2R)-2-methyl-1-[(2S,4R)-2-[[2-methyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]pentanediamide

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PDB entries

Showing all 3 items

PDB-1gq0:
Solution structure of Antiamoebin I, a membrane channel-forming polypeptide; NMR, 20 structures

PDB-1joh:
THE STRUCTURE OF ANTIAMOEBIN I, A MEMBRANE-ACTIVE PEPTIDE

PDB-2m1f:
NMR Structure of Antiamoebin I (peptaibol antibiotic) bound to DMPC/DHPC bicelles

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