Structure of PDB 4g67 Chain A Binding Site BS01

Receptor Information
>4g67 Chain A (length=387) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLPVPGPDALAQSEALAASLRAEIASAGGWIPFSRYMERVLYAPGMGYYS
GGAQKFGRRADDGSDFVTAPELSPLFAQTLARPVAQALDASGTRRVMEFG
AGTGKLAAGLLTALAALGVELDEYAIVDLSGELRARQRETLGAQAPGLAA
RVRWLDALPERFEGVVVGNEVLDAMPVRLVAKQARGWCERGVSIDDAGAF
VFADRPFARAEEAARLAGIDADEGYVTETHDAAVAFVRTVCAMLARGAAF
FIDYGFPSHEYYHRQRAQGTLMCHYRHRAHGDPFVYPGLQDITAHVEFSA
IHEAGVGAGADLLGYTSQARFLLNAGITDVLAEIDPSDAQHFLPAANAVQ
KLISEAEMGELFKVIAFSRGIDGALDAFARGDRSHTL
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 chain4g67 Chain A Residue 501 [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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PDB4g67 Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y65 Y72 F79 T91 P93 G123 L152 N192 E193 M198 F259
Binding residue
(residue number reindexed from 1)		Y42 Y49 F56 T68 P70 G100 L129 N169 E170 M175 F236
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0035243 protein-arginine omega-N symmetric methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4g67, PDBe:4g67, PDBj:4g67
PDBsum4g67
PubMed23382856
UniProtQ2T1U7

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