Structure of PDB 5u18 Chain A Binding Site BS01

Receptor Information
>5u18 Chain A (length=319) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGSTIQPERVDAAALRQLGDAMRKVVGSADPTPLADLLSGTPVDPDEL
TREVGADGRQALLDSGMAVDDGTTFSSPLRGHQLHGVVVLSDPDVEEEVQ
HRWYVDPLWEADLLIRLMLRRGGARALDMGCGSGVLSLVLADRYESVLGV
DVNPRAVALSRLNAALNGLTNVTFREGDMFEPAEGRFSRIVFNSPTNEEG
NEFVDLLEAGEPILETFFRNVPRKLESGGIVEVNLAMNDYPGDPFRERLA
DWLGLTENGLRVQIFTSQRRATESGGEWKRGWLVVAPGPVGLTEVEWPYH
DRYEEDPDALLDGTDRLLR
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 chain5u18 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u18 Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
Resolution2.195 Å
Binding residue
(original residue number in PDB)		G131 C132 G133 V136 D152 V153 D179 M180 N194 L207 I214
Binding residue
(residue number reindexed from 1)		G130 C131 G132 V135 D151 V152 D178 M179 N193 L206 I213
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5u18, PDBe:5u18, PDBj:5u18
PDBsum5u18
PubMed28876898
UniProtQ2MG72

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