Structure of PDB 8oeq Chain D Binding Site BS02

Receptor Information
>8oeq Chain D (length=214) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVDPFTRKDWFDIKAPTTFENRNVGKTLINRSTGLKNAADGLKGRVFEVC
LADLQGSEDHSYRKIKLRVDEVQGKNLLTNFHGLDFTSDKLRSLVRKWQS
LVEANVTVKTSDDYVLRVFAIAFTKRQPNQIKKTTYAQSSKLREVRKKMI
EIMQREVSNCTLAQLTSKLIPEVIGREIEKSTQTIFPLQNVHIRKVKLLK
QPKFDLGSLLALHG
Ligand information
Ligand IDPAR
InChIInChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyUOZODPSAJZTQNH-LSWIJEOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
CACTVS 3.341NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
CACTVS 3.341NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](N)[C@@H](O)[C@@H]1O
ACDLabs 10.04O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO
FormulaC23 H45 N5 O14
NamePAROMOMYCIN;
PAROMOMYCIN I;
AMMINOSIDIN;
CATENULIN;
CRESTOMYCIN;
MONOMYCIN A;
NEOMYCIN E
ChEMBLCHEMBL370143
DrugBankDB01421
ZINCZINC000060183170
PDB chain8oeq Chain B Residue 1970 [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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PDB8oeq Drug-induced rotational movement of the ribosome is a key factor for read-through enhancement
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D104 S107 L110 R111 R213 K214
Binding residue
(residue number reindexed from 1)		D85 S88 L91 R92 R194 K195
Annotation score1
External links