Structure of PDB 7v6h Chain B Binding Site BS01

Receptor Information
>7v6h Chain B (length=267) Species: 60894 (Saccharopolyspora spinosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVESIFDALAHGRPLHHGYWAGGYREDAGATPWSDAADQLTDLFIDKAAL
RPGAHLFDLGCGNGQPVVRAACASGVRVTGITVNAQHLAAATRLANETGL
AGSLEFDLVDGAQLPYPDGFFQAAWAMQSVVQIVDQAAAIREVHRILEPG
GRFVLGDIITAHTLNSFTALVSEAGFEILEVTDLTAQTRCMVSWYVDELL
RKLDELAGVEPAAVGTYQQRYLGDIAAKHGPGPAQLIAAVAEYRKHPDYA
RNEESMGFMLLQARKKQ
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain7v6h Chain B Residue 500 [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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PDB7v6h Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A.
Resolution3.054 Å
Binding residue
(original residue number in PDB)		L35 H36 G80 C81 G82 P86 I101 T102 V103 N104 H107 D130 G131 M147 S149
Binding residue
(residue number reindexed from 1)		L15 H16 G60 C61 G62 P66 I81 T82 V83 N84 H87 D110 G111 M127 S129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7v6h, PDBe:7v6h, PDBj:7v6h
PDBsum7v6h
PubMed34813308
UniProtA0A2N3Y640

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