Structure of PDB 4m83 Chain B Binding Site BS01

Receptor Information
>4m83 Chain B (length=394) Species: 1890 (Streptomyces antibioticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPAHIAMFSIAAHGHVNPSLEVIRELVARGHRVTYAIPPVFADKVAATGA
RPVLYHSTLPGPDADPEAWGSTLLDNVEPFLNDAIQALPQLADAYADDIP
DLVLHDITSYPARVLARRWGVPAVSLSPNLVAWKGYEEEVAEPMWREPRQ
TERGRAYYARFEAWLKENGITEHPDTFASHPPRSLVLIPKALQPHADRVD
EDVYTFVGACQGDRAEEGGWQRPAGAEKVVLVSLGSAFTKQPAFYRECVR
AFGNLPGWHLVLQIGRKVTPAELGELPDNVEVHDWVPQLAILRQADLFVT
HAGAGGSQEGLATATPMIAVPQAVDQFGNADMLQGLGVARKLATEEATAD
LLRETALALVDDPEVARRLRRIQAEMAQEGGTRRAADLIEAELP
Ligand information
Ligand IDERY
InChIInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKeyULGZDMOVFRHVEP-RWJQBGPGSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C
OpenEye OEToolkits 1.5.0CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
CACTVS 3.341CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)C(=O)[CH](C)[CH](O)[C]1(C)O
CACTVS 3.341CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
OpenEye OEToolkits 1.5.0CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
FormulaC37 H67 N O13
NameERYTHROMYCIN A
ChEMBLCHEMBL532
DrugBankDB00199
ZINCZINC000085534336
PDB chain4m83 Chain B Residue 501 [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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PDB4m83 The crystal structure of two macrolide glycosyltransferases provides a blueprint for host cell antibiotic immunity.
Resolution1.698 Å
Binding residue
(original residue number in PDB)		H19 W73 N80 F84 N133 A182 S183
Binding residue
(residue number reindexed from 1)		H15 W69 N76 F80 N129 A178 S179
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4m83, PDBe:4m83, PDBj:4m83
PDBsum4m83
PubMed
UniProtQ53685|OLED_STRAT Oleandomycin glycosyltransferase (Gene Name=oleD)

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