Structure of PDB 2y3s Chain B Binding Site BS02

Receptor Information
>2y3s Chain B (length=493) Species: 529089 (Streptomyces sp. 307-9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HIDSVAPGDIRYEDLRRGENLRFVGDPEEIHLVGSAAEIEQVLSRAVRSG
KRVAVRSGGHCYEDFVANSDVRVVMDMSRLSAVGFDEERGAFAVEAGATL
GAVYKTLFRVWGVTLPGGACPDVGAGGHILGGGYGPLSRMHGSIVDYLHA
VEVVVVDASGDARTVIATREPSDPNHDLWWAHTGGGGGNFGVVVRYWLRT
AEEPGRLLPRPPAEVLLNTTVWPWEGLDEAAFARLVRNHGRWFEQNSGPD
SPWCDLYSVLALTRSQSGALAMTTQLDATGPDAEKRLETYLAAVSEGVGV
QPHSDTRRLPWLHSTRWPGIAGDGDMTGRAKIKAAYARRSFDDRQIGTLY
TRLTSTDYDNPAGVVALIAYGGKVNAVPADRTAVAQRDSILKIVYVTTWE
DPAQDPVHVRWIRELYRDVYADTGGVPVPGGAADGAYVNYPDVDLADEEW
NTSGVPWSELYYKDAYPRLQAVKARWDPRNVFRHALSVRVPPA
Ligand information
Ligand IDTIR
InChIInChI=1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,16+,19-,20+,22+/m1/s1
InChIKeyADEAEUKXVJOXIM-YNKBRHJSSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[CH](C=C(C)C=CC(O)=C1C(=O)CNC1=O)[CH]2O[C]3(C)O[CH]([CH]2C)[CH](O)C=C3C
OpenEye OEToolkits 1.6.1CC1C2C(C=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)CNC3=O)O)C)C)O
CACTVS 3.352C[C@H](\C=C(C)\C=C\C(O)=C1/C(=O)CNC1=O)[C@H]2O[C@@]3(C)O[C@@H]([C@@H]2C)[C@@H](O)C=C3C
OpenEye OEToolkits 1.6.1C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O
FormulaC22 H29 N O6
NameTIRANDAMYCIN E
ChEMBL
DrugBank
ZINCZINC000103558110
PDB chain2y3s Chain B Residue 700 [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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PDB2y3s Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Resolution1.67 Å
Binding residue
(original residue number in PDB)		Y64 C122 D332 M333 A337 I339 T405 Y447
Binding residue
(residue number reindexed from 1)		Y62 C120 D325 M326 A330 I332 T398 Y440
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:2y3s, PDBe:2y3s, PDBj:2y3s
PDBsum2y3s
PubMed21778983
UniProtD3Y1I2

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