Structure of PDB 5gk1 Chain A Binding Site BS01

Receptor Information
>5gk1 Chain A (length=379) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVYITKVSAFMPGNPIDNNTMESVLGFVGGRPSRSRHIVLRNNGIKYRHY
ALDPETGEATYTSAQLAAEAVKGLVDEHFSLDDMQSLAASSGTSDQIIPG
HGVMVHGELKNKPCEVISTSGACAAGMTAMKYAYLSVLSGATSNAVSTTS
EVPSTVLHARNFQSENEARVAELERRPEIAFEKDFLRWMLSDGAGAALLE
NKPRPDGVSLRIDWIDIYSFANEQETCMYSGGEKLADGSLKGWAQMSQAD
WLAYSVFCIKQDVRYLNERVVKFTLTEPLRRIVADRNLSSESIDWFLPHY
SSEYFRMKFSEGLDDINFSIEQERWFTNLTVKGNTGSASIYIMLDELMKS
GKLKKDQRLLCFIPESARFTGAFMHLTVV
Ligand information
Ligand ID2K3
InChIInChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyLGKQVMSGOUJVCB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)CC(=O)CC(O)=O
OpenEye OEToolkits 1.9.2CC(C)CC(=O)CC(=O)O
ACDLabs 12.01O=C(CC(C)C)CC(=O)O
FormulaC7 H12 O3
Name3-OXO-5-METHYLHEXANOIC ACID
ChEMBL
DrugBank
ZINC
PDB chain5gk1 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gk1 Structural Insight into the Enzymatic Formation of Bacterial Stilbene.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		C126 M231 Q264 S369
Binding residue
(residue number reindexed from 1)		C123 M228 Q261 S366
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
Biological Process
GO:0044550 secondary metabolite biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5gk1, PDBe:5gk1, PDBj:5gk1
PDBsum5gk1
PubMed27866911
UniProtQ7N4Z6

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