Structure of PDB 6smo Chain C Binding Site BS01

Receptor Information
>6smo Chain C (length=347) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKRVVVTGVGAIHPDGNDVTAIKSKVIQKLLSSIIRTLSDFDGAKYINNR
LRRKIDEFSVYGIVAVEMALKASRLDVDKLDPNRVGIYVGNCFGGWQHIE
DEVKALHIEGIKGMGPYVATAWFPAALQGQLSLLYGFSAQSKTFSTSDVA
GMQAIGYAAEAISNGVAEVMLCGASEHLSSPLVKNLLEKTSSQKHSEVFG
EKQPGDFSEGAAFLVLEERQHALERGASILCELTGFVDYFAPDKNTRNNT
LEYTAELFNHNENAVFIMDGIYDDEKEITSKAFSNKEIKTSFINLRPYLD
NQFSVSGVIDSVLASSFLSESFSNTNQIIIQRFSNQGHVCALSFSAI
Ligand information
Ligand IDLKZ
InChIInChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3
InChIKeyPTGARLKYUIIZKU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
FormulaC12 H14 O6
Name3,5,7,9,11-pentakis(oxidanylidene)dodecanal
ChEMBL
DrugBank
ZINC
PDB chain6smo Chain B Residue 501 [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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PDB6smo Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)
A130 W133 F134
Binding residue
(residue number reindexed from 1)
A119 W122 F123
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D159 N272 R307 N312 F346
Catalytic site (residue number reindexed from 1) D148 N261 R296 N301 F322
Enzyme Commision number ?
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

View graph for
Molecular Function

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Biological Process
External links
PDB RCSB:6smo, PDBe:6smo, PDBj:6smo
PDBsum6smo
PubMed32632186
UniProtQ7MZT4

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