Structure of PDB 1t43 Chain A Binding Site BS01

Receptor Information
>1t43 Chain A (length=274) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYQHWLREAISQLQASESPRRDAEILLEHVTGRGRTFILAFGETQLTDEQ
CQQLDALLTRRRDGEPIAHLTGVREFWSLPLFVSPATLIPRPDTECLVEQ
ALARLPEQPCRILDLGTGTGAIALALASERPDCEIIAVDRMPDAVSLAQR
NAQHLAIKNIHILQSDWFSALAGQQFAMIVSNPPYIDEQDPHLQQGDVRF
EPLTALVAADSGMADIVHIIEQSRNALVSGGFLLLEHGWQQGEAVRQAFI
LAGYHDVETCRDYGDNERVTLGRY
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 chain1t43 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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PDB1t43 Structural characterization and comparative phylogenetic analysis of Escherichia coli HemK, a protein (N5)-glutamine methyltransferase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G117 T118 D140 R141 M142 D167 W168 N183 A206
Binding residue
(residue number reindexed from 1)		G116 T117 D139 R140 M141 D166 W167 N182 A205
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) L89 N183 P184
Catalytic site (residue number reindexed from 1) L88 N182 P183
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:1t43, PDBe:1t43, PDBj:1t43
PDBsum1t43
PubMed15223314
UniProtP0ACC1|PRMC_ECOLI Release factor glutamine methyltransferase (Gene Name=prmC)

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