Structure of PDB 7ux7 Chain A Binding Site BS01

Receptor Information
>7ux7 Chain A (length=378) Species: 202862 (Streptomyces drozdowiczii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVSLVDESLLVGVTDEDRAVRSAHQFYERLIGLWAPAVMEAAHELGVFAA
LAEAPADSGELARRLDCDARAMRVLLDALYAYDVIDRIHDTNGFRYLLSA
EARECLLPGTLFSLVGKFMHDINVAWPAWRNLAEVVRHGARDTSGAESPN
GIAQEDYESLVGGINFWAPPIVTTLSRKLRASGRSGDATASVLDVGCGTG
LYSQLLLREFPRWTATGLDVERIATLANAQALRLGVEERFATRAGDFWRG
GWGTGYDLVLFANIFHLQTPASAVRLMRHAAACLAPDGLVAVVDQIVDAD
REPKTPQDRFALLFAASMTNTGGGDAYTFQEYEEWFTAAGLQRIETLDTP
MHRILLARRATEPSAVPEGQASENLYFQ
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 chain7ux7 Chain A Residue 401 [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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PDB7ux7 Expanding the eukaryotic genetic code with a biosynthesized 21st amino acid.
Resolution1.14 Å
Binding residue
(original residue number in PDB)		Y162 G201 C202 G203 Y207 D224 G250 D251 F252 W253 A267 N268
Binding residue
(residue number reindexed from 1)		Y157 G196 C197 G198 Y202 D219 G245 D246 F247 W248 A262 N263
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7ux7, PDBe:7ux7, PDBj:7ux7
PDBsum7ux7
PubMed36173166
UniProtA0A0D4WTP2

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