Structure of PDB 5gk1 Chain C Binding Site BS01

Receptor Information
>5gk1 Chain C (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 C 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 E368 S369
Binding residue
(residue number reindexed from 1)		C123 M228 Q261 E365 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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