Structure of PDB 5eeh Chain A Binding Site BS04

Receptor Information
>5eeh Chain A (length=342) Species: 1950 (Streptomyces peucetius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQQIDALRTLIRLGSLHTPMVVRTAATLRLVDHILAGARTVKALAARTDT
RPEALLRLIRHLVAIGLLEEDAPGEFVPTEVGELLADDHPAAQRAWHDLT
QAVARADISFTRLPDAIRTGRPTYESIYGKPFYEDLAGRPDLRASFDSLL
ACDQDVAFDAPAAAYDWTNVRHVLDVGGGKGGFAAAIARRAPHVSATVLE
MAGTVDTARSYLKDEGLSDRVDVVEGDFFEPLPRKADAIILSFVLLNWPD
HDAVRILTRCAEALEPGGRILIHERDDLHENSFNEQFTELDLRMLVFLGG
ALRTREKWDGLAASAGLVVEEVRQLPSPTIPYDLSLLVLAPA
Ligand information
Ligand IDP9P
InChIInChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKeyBOFRXDMCQRTGII-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(c(cc1N(=O)=O)Cl)O
CACTVS 3.385Oc1ccc(cc1Cl)[N](=O)=O
FormulaC6 H4 Cl N O3
Name2-chloranyl-4-nitro-phenol
ChEMBLCHEMBL150824
DrugBank
ZINCZINC000012358970
PDB chain5eeh Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eeh Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		L160 A167 F253
Binding residue
(residue number reindexed from 1)		L150 A157 F243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L256 N257 E284 L312
Catalytic site (residue number reindexed from 1) L246 N247 E274 L302
Enzyme Commision number 2.1.1.292: carminomycin 4-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0032259 methylation
GO:1901771 daunorubicin biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5eeh, PDBe:5eeh, PDBj:5eeh
PDBsum5eeh
PubMed27351335
UniProtQ06528|DNRK_STRPE Carminomycin 4-O-methyltransferase DnrK (Gene Name=dnrK)

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