Structure of PDB 3dxz Chain A Binding Site BS01

Receptor Information
>3dxz Chain A (length=200) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HALENYWPVMGVEFSEDMLDFPALFGREAPVTLEIGFGMGASLVAMAKDR
PEQDFLGIEVHSPGVGACLASAHEEGLSNLRVMCHDAVEVLHKMIPDNSL
RMVQLFFPDPWHKARHNKRRIVQVPFAELVKSKLQLGGVFHMATDWEPYA
EHMLEVMSSIDGYKNLSESNDYVPRPASRPVTKFEGHGVWDLMFERVKLE
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 chain3dxz Chain A Residue 1 [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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PDB3dxz Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Resolution1.58 Å
Binding residue
(original residue number in PDB)		G71 F72 E94 V95 A122 F141 F142 D144
Binding residue
(residue number reindexed from 1)		G36 F37 E59 V60 A87 F106 F107 D109
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.33: tRNA (guanine(46)-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008176 tRNA (guanine(46)-N7)-methyltransferase activity
Biological Process
GO:0006400 tRNA modification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3dxz, PDBe:3dxz, PDBj:3dxz
PDBsum3dxz
PubMed19373903
UniProtP0A8I5|TRMB_ECOLI tRNA (guanine-N(7)-)-methyltransferase (Gene Name=trmB)

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