Structure of PDB 1n2x Chain A Binding Site BS01

Receptor Information
>1n2x Chain A (length=287) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HIPVMVREVIEFLKPEDEKIILDCTVGEGGHSRAILEHCPGCRIIGIDVD
SEVLRIAEEKLKEFSDRVSLFKVSYREADFLLKTLGIEKVDGILMDLGVS
TYQLKGENRGFTFEREEPLDMRMDLESEVTAQKVLNELPEEELARIIFEY
GEEKRFARRIARKIVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKT
FQAIRIYVNRELENLKEFLKKAEDLLNPGGRIVVISFHSLEDRIVKETFR
NSKKLRILTEKPVRPSEEEIRENPRARSGRLRAAERI
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 chain1n2x Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n2x Crystal complexes of a predicted S-adenosylmethionine-dependent methyltransferase reveal a typical AdoMet binding domain and a substrate recognition domain
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H8 C31 T32 V33 G37 H38 D55 V56 S81 Y82 D103 G105 Q110 M130 R282
Binding residue
(residue number reindexed from 1)		H1 C24 T25 V26 G30 H31 D48 V49 S74 Y75 D96 G98 Q103 M123 R275
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:1n2x, PDBe:1n2x, PDBj:1n2x
PDBsum1n2x
PubMed12824489
UniProtQ9WZX6|RSMH_THEMA Ribosomal RNA small subunit methyltransferase H (Gene Name=rsmH)

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