Structure of PDB 1nv8 Chain B Binding Site BS01

Receptor Information
>1nv8 Chain B (length=267) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIWSLIRDCSGKLEGVTETSVLEVLLIVSRVLGIRKEDLFLLGVSPTEEK
RILELVEKRASGYPLHYILGEKEFMGLSFLVEEGVFVPRPETEELVELAL
ELIRKYGIKTVADIGTGSGAIGVSVAKFSDAIVFATDVSSKAVEIARKNA
ERHGVSDRFFVRKGEFLEPFKEKFASIEMILSNPPYVKSSAHLPKDVLFE
PPEALFGGEDGLDFYREFFGRYDTSGKIVLMEIGEDQVEELKKIVSDTVF
LKDSAGKYRFLLLNRRS
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 chain1nv8 Chain B Residue 301 [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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PDB1nv8 Structures along the Catalytic Pathway of PrmC/HemK, an N(5)-Glutamine AdoMet-Dependent Methyltransferase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F100 G129 T130 D151 E179 F180 N197 P199 A218
Binding residue
(residue number reindexed from 1)		F86 G115 T116 D137 E165 F166 N183 P185 A204
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) F100 N197 P198
Catalytic site (residue number reindexed from 1) F86 N183 P184
Enzyme Commision number 2.1.1.297: peptide chain release factor N(5)-glutamine methyltransferase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0036009 protein-glutamine N-methyltransferase activity
GO:0102559 protein-(glutamine-N5) methyltransferase activity
Biological Process
GO:0006479 protein methylation
GO:0018364 peptidyl-glutamine methylation
GO:0032259 methylation
GO:0043414 macromolecule methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1nv8, PDBe:1nv8, PDBj:1nv8
PDBsum1nv8
PubMed12741815
UniProtQ9WYV8|PRMC_THEMA Release factor glutamine methyltransferase (Gene Name=prmC)

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