Structure of PDB 1tqy Chain E Binding Site BS01

Receptor Information
>1tqy Chain E (length=421) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVVITGVGVRAPGGNGTRQFWELLTSGRTATRRISFFDPSPYRSQVAAE
ADFDPVAEGFGPRELDRMDRASQFAVACAREAFAASGLDPDTLDPARVGV
SLGSAVAAATSLEREYLLLSDSGRDWEVDAAWLSRHMFDYLVPSVMPAEV
AWAVGAEGPVTMVSTGCTSGLDSVGNAVRAIEEGSADVMFAGAADTPITP
IVVACFDAIRATTARNDDPEHASRPFDGTRDGFVLAEGAAMFVLEDYDSA
LARGARIHAEISGYATRCNAYHMTGLKADGREMAETIRVALDESRTDATD
IDYINAHGSGTRQNDRHETAAYKRALGEHARRTPVSSIKSMVGHSLGAIG
SLEIAACVLALEHGVVPPTANLRTSDPECDLDYVPLEARERKLRSVLTVG
SGFGGFQSAMVLRDAETAGAA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1tqy Chain E Residue 1097 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tqy An antibiotic factory caught in action.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N307 A308 E355 V401
Binding residue
(residue number reindexed from 1)		N305 A306 E353 V399
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C169 H309 E320 K341 H346 S403 F405
Catalytic site (residue number reindexed from 1) C167 H307 E318 K339 H344 S401 F403
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tqy, PDBe:1tqy, PDBj:1tqy
PDBsum1tqy
PubMed15286722
UniProtQ02059|ACTI1_STRCO Actinorhodin polyketide putative beta-ketoacyl synthase 1 (Gene Name=SCO5087)

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