Structure of PDB 8ipm Chain D Binding Site BS03
Receptor Information
>8ipm Chain D (length=282) Species:
9606
(Homo sapiens) [
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MVDEVVHCLSPQKGQIFLDMTFGSGGHTKAILQKESDIVLYALDRDPTAY
ALAEHLSELYPKQIRAMLGQFSQAEALLMKAGVQPGTFDGVLMDLGCSSM
QLDTPERGFSLRKDGPLDMRMDGGRYPDMPTAADVVNALDQQALASILRT
YGEEKHAKKIASAIVQARSIYPITRTQQLASIVAGAFPPSAIYTRKDLLQ
RSTHIATKTFQALRIFVNNELNELYTGLKTAQKFLRPGGRLVALSFHSLE
DRIVKRFLLGISMLMWELIHKKVAKLRAAIKL
Ligand information
Ligand ID
SFG
InChI
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKey
LMXOHSDXUQEUSF-YECHIGJVSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
CACTVS 3.370
N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370
N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01
O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
Formula
C15 H23 N7 O5
Name
SINEFUNGIN;
ADENOSYL-ORNITHINE
ChEMBL
CHEMBL1214186
DrugBank
DB01910
ZINC
ZINC000004217451
PDB chain
8ipm Chain D Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
8ipm
Structural insights reveal the specific recognition of mitochondrial ribosome-binding factor hsRBFA and 12S rRNA by methyltransferase METTL15
Resolution
3.1 Å
Binding residue
(original residue number in PDB)
T27 F28 G29 G32 H33 D50 R51 F77 D100 S104 E226
Binding residue
(residue number reindexed from 1)
T21 F22 G23 G26 H27 D44 R45 F71 D94 S98 E220
Annotation score
3
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:8ipm
,
PDBe:8ipm
,
PDBj:8ipm
PDBsum
8ipm
PubMed
38291322
UniProt
A6NJ78
|MET15_HUMAN 12S rRNA N4-methylcytidine (m4C) methyltransferase (Gene Name=METTL15)
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