Structure of PDB 6smo Chain B Binding Site BS01

Receptor Information
>6smo Chain B (length=408) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPRRVVVTGLGVVAPTGVGVNEFWNNIHNGKSGVSKYEWGRERFGFKSGA
IGQVYFVLKSERKYLQFALDAAEMAMQDANLRPSDIDGRRFGVAIATAIA
DAAGMEECLLRITKGGKENIHPDLIKSEDYDSFDFSSAATSVAKKYGASM
SVSNISTGCAAGLDALGIAMEHIRYGRADIMLAGASEAPLCPLSIGSFEA
LGALSSRELENQQAATCPFSLERDGFVIAEGCGILILESYEHAKQRGAHI
YAELAGYASVNNAYHMTDLPADGMAMARCIDMALKDAQISPSTVNYISAH
GSSTAQNDINESNAIKFVLGESAFGIPINSLKSMTGHALAAANAIESVAL
CLEIEKQYVHPTINYQTPDPDCDLDYIPNQGCSYPIKTALKLSSGFSGIH
SVIVMRAV
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
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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)		I116 C176 S211 S214 H354 G412 F413
Binding residue
(residue number reindexed from 1)		I99 C159 S194 S197 H337 G395 F396
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C176 H317 K349 H354 S411 F413
Catalytic site (residue number reindexed from 1) C159 H300 K332 H337 S394 F396
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
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:6smo, PDBe:6smo, PDBj:6smo
PDBsum6smo
PubMed32632186
UniProtQ7MZT3

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