Structure of PDB 2b3t Chain A Binding Site BS01

Receptor Information
>2b3t Chain A (length=276) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEYQHWLREAISQLQASESPRRDAEILLEHVTGRGRTFILAFGETQLTDE
QCQQLDALLTRRRDGEPIAHLTGVREFWSLPLFVSPATLIPRPDTECLVE
QALARLPEQPCRILDLGTGTGAIALALASERPDCEIIAVDRMPDAVSLAQ
RNAQHLAIKNIHILQSDWFSALAGQQFAMIVSNPPYIDEQDPHLQQGDVR
FEPLTALVAADSGMADIVHIIEQSRNALVSGGFLLLEHGWQQGEAVRQAF
ILAGYHDVETCRDYGDNERVTLGRYY
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain2b3t Chain A Residue 300 [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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PDB2b3t Molecular basis for bacterial class I release factor methylation by PrmC
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T88 L89 P91 G117 T120 D140 R141 S166 D167 W168 N183 P185 T205 A206
Binding residue
(residue number reindexed from 1)		T88 L89 P91 G117 T120 D140 R141 S166 D167 W168 N183 P185 T205 A206
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) L89 N183 P184
Catalytic site (residue number reindexed from 1) L89 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:0006415 translational termination
GO:0006479 protein methylation
GO:0010468 regulation of gene expression
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:2b3t, PDBe:2b3t, PDBj:2b3t
PDBsum2b3t
PubMed16364916
UniProtP0ACC1|PRMC_ECOLI Release factor glutamine methyltransferase (Gene Name=prmC)

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