Structure of PDB 1vq1 Chain A Binding Site BS01

Receptor Information
>1vq1 Chain A (length=266) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKIWSLIRDCSGKLEGVTETSVLEVLLIVSRVLGIRKEDLFLKDLGVSPT
EEKRILELVEKRASGYPLHYILGEKEFMGLSFLVEEGVFVPRPETEELVE
LALELIRKYGIKTVADIGTGSGAIGVSVAKFSDAIVFATDVSSKAVEIAR
KNAERHGVSDRFFVRKGEFLEPFKEKFASIEMILSNPPYVKSSAHLFEPP
EALFGGEDGLDFYREFFGRYDTSGKIVLMEIGEDQVEELKKIVSDTVFLK
DSAGKYRFLLLNRRSS
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 chain1vq1 Chain A 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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PDB1vq1 Crystal structure of N5-glutamine methyltransferase, HemK(EC 2.1.1.-) (TM0488) from Thermotoga maritima at 2.80 A resolution
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F100 I128 G129 T130 G131 D151 E179 F180 N197 P198 P199 A218 F228
Binding residue
(residue number reindexed from 1)		F89 I117 G118 T119 G120 D140 E168 F169 N186 P187 P188 A202 F212
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) F100 N197 P198
Catalytic site (residue number reindexed from 1) F89 N186 P187
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:1vq1, PDBe:1vq1, PDBj:1vq1
PDBsum1vq1
PubMed
UniProtQ9WYV8|PRMC_THEMA Release factor glutamine methyltransferase (Gene Name=prmC)

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