Structure of PDB 1wg8 Chain B Binding Site BS01

Receptor Information
>1wg8 Chain B (length=280) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THVPVLYQEALDLLAVRPGGVYVDATLGGAGHARGILERGGRVIGLDQDP
EAVARAKGLHLPGLTVVQGNFRHLKRHLAALGVERVDGILADLGVSSFHL
DDPSRGFSYQKEGPLDMRMGLEGPTAKEVVNRLPLEALARLLRELGEEPQ
AYRIARAIVAAREKAPIETTTQLAEIVRKAVGFRRAGHPARKTFQALRIY
VNDELNALKEFLEQAAEVLAPGGRLVVIAFHSLEDRVVKRFLRESGLKVL
TKKPLVPSEKEAAQNPRARSAKLRAAEKEA
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 chain1wg8 Chain B Residue 3141 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wg8 Crystal structure of a predicted S-adenosylmethionine-dependent methyltransferase TT1512 from Thermus thermophilus HB8 at 2.0 Ang. resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T30 L31 G32 G33 G35 H36 D51 Q52 N74 F75 D96 G98 H103 M123
Binding residue
(residue number reindexed from 1)		T26 L27 G28 G29 G31 H32 D47 Q48 N70 F71 D92 G94 H99 M119
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.199: 16S rRNA (cytosine(1402)-N(4))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0071424 rRNA (cytosine-N4-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0032259 methylation
GO:0070475 rRNA base methylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wg8, PDBe:1wg8, PDBj:1wg8
PDBsum1wg8
PubMed
UniProtQ5SJD8|RSMH_THET8 Ribosomal RNA small subunit methyltransferase H (Gene Name=rsmH)

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