Structure of PDB 5u1e Chain A Binding Site BS02

Receptor Information
>5u1e Chain A (length=321) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMIVGGSTIQPERVDAAALRQLGDAMRKVVGSADPTPLADLLSGTPVD
PDELTREVGADGRQALLDSGMAVDDGTTFSSPLRGHQLHGVVVLSDPDVE
EEVQHRWYVDPLWEADLLIRLMLRRGGARALDMGCGSGVLSLVLADRYES
VLGVDVNPRAVALSRLNAALNGLTNVTFREGDMFEPAEGRFSRIVFNSPT
NEEGNEFVDLLEAGEPILETFFRNVPRKLESGGIVEVNLAMNDYPGDPFR
ERLADWLGLTENGLRVQIFTSQRRATESGGEWKRGWLVVAPGPVGLTEVE
WPYHDRYEEDPDALLDGTDRL
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 chain5u1e Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u1e Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
Resolution2.213 Å
Binding residue
(original residue number in PDB)		D107 G131 C132 G133 V136 D152 V153 M180 N194 L207 L208 I214
Binding residue
(residue number reindexed from 1)		D110 G134 C135 G136 V139 D155 V156 M183 N197 L210 L211 I217
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:5u1e, PDBe:5u1e, PDBj:5u1e
PDBsum5u1e
PubMed28876898
UniProtQ2MG72

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