Structure of PDB 5dpm Chain A Binding Site BS01

Receptor Information
>5dpm Chain A (length=206) Species: 331112 (Escherichia coli HS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HNVDHEEIAKFEAVASRWWDLEGEFKPLHRINPLRLGYIAERAGGLFGKK
VLDVGCGGGILAESMAREGATVTGLDMGFEPLQVAKLHALESGIQVDYVQ
ETVEEHAAKHAGQYDVVTCMEMLEHVPDPQSVVRACAQLVKPGGDVFFST
LNRNGKFIKPAELLGWVDQTSLKERHITGLHYNPITNTFKLGPGVDVNYM
LHTQNK
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 chain5dpm Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dpm Crystal structure of UbiG mutant in complex with SAH at 2.1 angstroms resolution
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I17 F20 W27 R44 G64 C65 D85 M86 M129 E130 M131
Binding residue
(residue number reindexed from 1)		I8 F11 W18 R35 G55 C56 D76 M77 M120 E121 M122
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.222: 2-polyprenyl-6-hydroxyphenol methylase.
2.1.1.64: 3-demethylubiquinol 3-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008425 2-polyprenyl-6-methoxy-1,4-benzoquinone methyltransferase activity
GO:0010420 3,4-dihydroxy-5-polyprenylbenzoic acid O-methyltransferase activity
GO:0061542 3-demethylubiquinol-n 3-O-methyltransferase activity
GO:0102208 2-polyprenyl-6-hydroxyphenol methylase activity
GO:1901611 phosphatidylglycerol binding
Biological Process
GO:0006744 ubiquinone biosynthetic process
GO:0032259 methylation
GO:0042538 hyperosmotic salinity response
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009898 cytoplasmic side of plasma membrane
GO:0110142 ubiquinone biosynthesis complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5dpm, PDBe:5dpm, PDBj:5dpm
PDBsum5dpm
PubMed
UniProtP17993|UBIG_ECOLI Ubiquinone biosynthesis O-methyltransferase (Gene Name=ubiG)

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