Structure of PDB 6smo Chain E Binding Site BS01

Receptor Information

>6smo Chain E (length=352) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1)

MRKRVVVTGVGAIHPDGNDVTAIKSKVIQKLLGQNTTASSIIRTLSDFDG
AKYINNRLRRKIDEFSVYGIVAVEMALKASRLDVDKLDPNRVGIYVGNCF
GGWQHIEDEVKALHIEGIKGMGPYVATAWFPAALQGQLSLLYGFSAQSKT
FSTSDVAGMQAIGYAAEAISNGVAEVMLCGASEHLSSPLVKNLLEKTSSQ
KHSEVFGEKQPGDFSEGAAFLVLEERQHALERGASILCELTGFVDYFAPD
KNTRNNTLEYTAELFNHNENAVFIMDGIYDDEKEITSKAFSNKEIKTSFI
NLRPYLDNQFSVSGVIDSVLASSFLSESNTNQIIIQRFSNQGHVCALSFS
AI

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:
  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
• PDB chain: 6smo Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• 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): A126 W129 F130
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D159 N272 R307 N312
• Catalytic site (residue number reindexed from 1): D155 N268 R303 N308

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

External links

• PDB: RCSB:6smo, PDBe:6smo, PDBj:6smo
• PDBsum: 6smo
• PubMed: 32632186
• UniProt: Q7MZT4