Structure of PDB 8h1b Chain B Binding Site BS02

Receptor Information
>8h1b Chain B (length=193) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLERILPFSKTLIKQHITPESIVVDATCGNGNDTLFLAEQVPEGHVYGF
DIQDLALENTRDKVKDFNHVSLIKDGHENIEHHINDAHKGHIDAAIFNLG
YLPKGDKSIVTKPDTTIQAINSLLSLMSIEGIIVLVIYHGHSEGQIEKHA
LLDYLSTLDQKHAQVLQYQFLNQRNHAPFICAIEKISGHHHHH
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain8h1b Chain B Residue 201 [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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PDB8h1b Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		T28 C29 G30 N31 N33 D34 D51 I52 Q53 G76 H77 N98 L99 G100 Y101 L102 T111
Binding residue
(residue number reindexed from 1)		T28 C29 G30 N31 N33 D34 D51 I52 Q53 G76 H77 N98 L99 G100 Y101 L102 T111
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.61: tRNA 5-(aminomethyl)-2-thiouridylate-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0008033 tRNA processing
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8h1b, PDBe:8h1b, PDBj:8h1b
PDBsum8h1b
PubMed36762482
UniProtQ2FXG9|MNMM_STAA8 tRNA (mnm(5)s(2)U34)-methyltransferase (Gene Name=mnmM)

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