Structure of PDB 5c0o Chain H Binding Site BS01

Receptor Information
>5c0o Chain H (length=211) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HEALLEAGGVVRLSVHRPTLEEYLLHMKRSATPTAPKDASAMVTLLDLAP
GMRVLEAGTGSGGLTLFLARAVGEKGLVESYEARPHHLAQAERNVRAFWQ
VENVRFHLGKLEEAELEEAAYDGVALDLMEPWKVLEKAALALKPDRFLVA
YLPNITQVLELVRAAEAHPFRLERVLEVGWREWEVRLPVAHPRFQQVGHT
AFLVALRRWKA
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 chain5c0o Chain H Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c0o The m1A58 modification in eubacterial tRNA: An overview of tRNA recognition and mechanism of catalysis by TrmI.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		P76 T77 T102 G103 S104 G105 G106 L107 E125 R127 K153 L154 D170 L171
Binding residue
(residue number reindexed from 1)		P33 T34 T59 G60 S61 G62 G63 L64 E82 R84 K110 L111 D127 L128
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.220: tRNA (adenine(58)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0160107 tRNA (adenine(58)-N1)-methyltransferase activity
Biological Process
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation
Cellular Component
GO:0005575 cellular_component
GO:0031515 tRNA (m1A) methyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5c0o, PDBe:5c0o, PDBj:5c0o
PDBsum5c0o
PubMed26189113
UniProtQ8GBB2|TRMI_THET2 tRNA (adenine(58)-N(1))-methyltransferase TrmI (Gene Name=trmI)

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