Structure of PDB 6smo Chain C Binding Site BS01
Receptor Information
>6smo Chain C (length=347) Species:
243265
(Photorhabdus laumondii subsp. laumondii TTO1) [
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RKRVVVTGVGAIHPDGNDVTAIKSKVIQKLLSSIIRTLSDFDGAKYINNR
LRRKIDEFSVYGIVAVEMALKASRLDVDKLDPNRVGIYVGNCFGGWQHIE
DEVKALHIEGIKGMGPYVATAWFPAALQGQLSLLYGFSAQSKTFSTSDVA
GMQAIGYAAEAISNGVAEVMLCGASEHLSSPLVKNLLEKTSSQKHSEVFG
EKQPGDFSEGAAFLVLEERQHALERGASILCELTGFVDYFAPDKNTRNNT
LEYTAELFNHNENAVFIMDGIYDDEKEITSKAFSNKEIKTSFINLRPYLD
NQFSVSGVIDSVLASSFLSESFSNTNQIIIQRFSNQGHVCALSFSAI
Ligand information
Ligand ID
LKZ
InChI
InChI=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
InChIKey
PTGARLKYUIIZKU-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
Formula
C12 H14 O6
Name
3,5,7,9,11-pentakis(oxidanylidene)dodecanal
ChEMBL
DrugBank
ZINC
PDB chain
6smo Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6smo
Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
A130 W133 F134
Binding residue
(residue number reindexed from 1)
A119 W122 F123
Annotation score
1
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
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Molecular Function
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Biological Process
External links
PDB
RCSB:6smo
,
PDBe:6smo
,
PDBj:6smo
PDBsum
6smo
PubMed
32632186
UniProt
Q7MZT4
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