Structure of PDB 2y3r Chain C Binding Site BS02

Receptor Information
>2y3r Chain C (length=492) Species: 529089 (Streptomyces sp. 307-9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSVAPGDIRYEDLRRGENLRFVGDPEEIHLVGSAAEIEQVLSRAVRSGKR
VAVRSGGHCYEDFVANSDVRVVMDMSRLSAVGFDEERGAFAVEAGATLGA
VYKTLFRVWGVTLPGGACPDVGAGGHILGGGYGPLSRMHGSIVDYLHAVE
VVVVDASGDARTVIATREPSDPNHDLWWAHTGGGGGNFGVVVRYWLRTAE
PPEPGRLLPRPPAEVLLNTTVWPWEGLDEAAFARLVRNHGRWFEQNSGPD
SPWCDLYSVLALTRSQSGALAMTTQLDATGPDAEKRLETYLAAVSEGVGV
QPHSDTRRLPWLHSTRWPGIAGDGDMTGRAKIKAAYARRSFDDRQIGTLY
TRLTSTDDNPAGVVALIAYGGKVNAVPADRTAVAQRDSILKIVYVTTWED
PAQDPVHVRWIRELYRDVYADTGGVPVPGGAADGAYVNYPDVDLADEEWN
TSGVPWSELYYKDAYPRLQAVKARWDPRNVFRHALSVRVPPA
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 chain2y3r Chain C 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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PDB2y3r Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y64 C122 D332 A337 I339 V403 Y447
Binding residue
(residue number reindexed from 1)		Y60 C118 D325 A330 I332 V395 Y439
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:2y3r, PDBe:2y3r, PDBj:2y3r
PDBsum2y3r
PubMed21778983
UniProtD3Y1I2

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