Structure of PDB 3i55 Chain 3 Binding Site BS02

Receptor Information
>3i55 Chain 3 (length=92) Species: 2238 (Haloarcula marismortui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQMPRRFNTYCPHCNEHQEHEVEKVRSGRQTGMKWIDRQRERNSGIGNDG
KFSKVPGGDKPTKKTDLKYRCGECGKAHLREGWRAGRLEFQE
Ligand information
Ligand IDMYL
InChIInChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18+,19-,20-,22-,24-/m1/s1
InChIKeyIJASURGZDJYQGF-RXLGVIKCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)O)(C)C)OC)OCO2)O)OC)C
CACTVS 3.352CO[C@@H]1[C@H]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@H](O)CO)C1(C)C
CACTVS 3.352CO[CH]1[CH]2OCO[CH](NC(=O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC)[CH]2O[CH](C[CH](O)CO)C1(C)C
ACDLabs 11.02O=C(NC2OCOC1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)OC(C)C(C(=C)/C3)C
OpenEye OEToolkits 1.7.0C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C
FormulaC24 H41 N O10
NameMycalamide A;
(2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide
ChEMBLCHEMBL497719
DrugBank
ZINCZINC000026175752
PDB chain3i55 Chain 0 Residue 2924 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3i55 Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		K51 G57
Binding residue
(residue number reindexed from 1)		K51 G57
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003735 structural constituent of ribosome
GO:0008270 zinc ion binding
GO:0019843 rRNA binding
GO:0046872 metal ion binding
GO:0070180 large ribosomal subunit rRNA binding
Biological Process
GO:0006412 translation
Cellular Component
GO:0005840 ribosome
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3i55, PDBe:3i55, PDBj:3i55
PDBsum3i55
PubMed19738021
UniProtP32411|RL44E_HALMA Large ribosomal subunit protein eL42 (Gene Name=rpl44e)

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