Structure of PDB 5fgl Chain F Binding Site BS01

Receptor Information
>5fgl Chain F (length=201) Species: 1042876 (Pseudomonas putida S16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELILNEAEKVFAMHGFLGATLKQIAQNSNVTQALITYYYGTKQNLFMEVY
RRGLSDIDKKRQNYLDELKSRPEGYNTYDIVRTYLRPQFEHREQAWMHFA
RLQSRLASEPEEVAVPLRKELYDHTLKAFIHEIMECEGEDDAAAVSWGAV
FMVSMILYMLRGVDRIGELTDGHLHAESEDDIVERMTIFITGGINSLKQA
T
Ligand information
Ligand ID6HY
InChIInChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)
InChIKeyOMAJIMAYOJBLJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)C1=CNC(=O)C=C1
OpenEye OEToolkits 2.0.4C1=CC(=O)NC=C1C(=O)CCC(=O)O
FormulaC9 H9 N O4
Name4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid
ChEMBL
DrugBank
ZINCZINC000032147064
PDB chain5fgl Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5fgl Co-crystal Structure of NicR2_Hsp
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y190 R197
Binding residue
(residue number reindexed from 1)		Y158 R165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5fgl, PDBe:5fgl, PDBj:5fgl
PDBsum5fgl
PubMed
UniProtA0A0B4KIF6

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