Structure of PDB 8ipk Chain A Binding Site BS01

Receptor Information
>8ipk Chain A (length=311) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVMVDEVVHCLSPQKGQIFLDMTFGSGGHTKAILQKESDIVLYALDRDPT
AYALAEHLSELYPKQIRAMLGQFSQAEALLMKAGVQPGTFDGVLMDLGCS
SMQLDTPERGFSLRKDGPLDMRMDGGRYPDMPTAADVVNALDQQALASIL
RTYGEEKHAKKIASAIVQARSIYPITRTQQLASIVAGAFPPSAIYTRKDL
LQRSTHIATKTFQALRIFVNNELNELYTGLKTAQKFLRPGGRLVALSFHS
LEDRIVKRFLLGISMTERFNLSVRQQVMKTSQLGSDHEPLMWELIHKKVL
RSAKLRAAIKL
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 chain8ipk 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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PDB8ipk Structural insights reveal the specific recognition of mitochondrial ribosome-binding factor hsRBFA and 12S rRNA by methyltransferase METTL15
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T27 F28 S30 G32 H33 D50 R51 Q76 F77 D100 G102 C103 S104 M127 E229
Binding residue
(residue number reindexed from 1)		T23 F24 S26 G28 H29 D46 R47 Q72 F73 D96 G98 C99 S100 M123 E225
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8ipk, PDBe:8ipk, PDBj:8ipk
PDBsum8ipk
PubMed38291322
UniProtA6NJ78|MET15_HUMAN 12S rRNA N4-methylcytidine (m4C) methyltransferase (Gene Name=METTL15)

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