Structure of PDB 5m58 Chain B Binding Site BS01

Receptor Information
>5m58 Chain B (length=229) Species: 68264 (Streptomyces rishiriensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIEPITGSEAEAFHRMGSRAFERYNEFVDLLVGAGIADGQTVVDLCCGS
GELEIILTSRFPSLNLVGVDLSEDMVRIARDYAAEQGKELEFRHGDAQSP
AGMEDLLGKADLVVSRHAFHRLTRLPAGFDTMLRLVKPGGAILNVSFLHL
SDFDEPGFRTWVRFLKERPWDAEMQVAWALAHYYAPRLQDYRDALAQAAD
ETPVSEQRIWVDDQGYGVATVKCFARRAA
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 chain5m58 Chain B 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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PDB5m58 Crystal Structure and Catalytic Mechanism of CouO, a Versatile C-Methyltransferase from Streptomyces rishiriensis.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		E4 P5 I6 F14 Y25 C47 C48 G49 D70 L71 M75 D96 A97 R116 H117
Binding residue
(residue number reindexed from 1)		E4 P5 I6 F14 Y25 C47 C48 G49 D70 L71 M75 D96 A97 R116 H117
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5m58, PDBe:5m58, PDBj:5m58
PDBsum5m58
PubMed28152088
UniProtQ9F8T9|COUO_STRRH C-methyltransferase CouO (Gene Name=couO)

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