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Structure of PDB 2nyu Chain A Binding Site BS01

Receptor Information
>2nyu Chain A (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYRSRSAFKLLEVNERHQILRPGLRVLDCGAAPGAWSQVAVQKVNAAGTD
PSSPVGFVLGVDLLHIFPLEGATFLCPADVTDPRTSQRILEVLPGRRADV
ILSDMAPNATGFRDLDHDRLISLCLTLLSVTPDILQPGGTFLCKTWAGSQ
SRRLQRRLTEEFQNVRIIKPEVYFLATQYHG
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 chain2nyu Chain A 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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PDB2nyu The Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with AdoMet
Resolution1.76 Å
Binding residue
(original residue number in PDB)		G30 A32 P33 G34 A35 W36 D62 L63 D79 V80 D104 M105 A106
Binding residue
(residue number reindexed from 1)		G30 A32 P33 G34 A35 W36 D62 L63 D79 V80 D104 M105 A106
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2nyu, PDBe:2nyu, PDBj:2nyu
PDBsum2nyu
PubMed
UniProtQ9UI43|MRM2_HUMAN rRNA methyltransferase 2, mitochondrial (Gene Name=MRM2)

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