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Structure of PDB 7k5g Chain C Binding Site BS03

Receptor Information >7k5g Chain C (length=155) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MKGDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESID EMKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKD LREAIVHCEQVHDYVSRDLLKDILESEEEHIDYLETQLGLIQKVGLENYL QSHMH

Ligand information Ligand ID VXS InChI InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22) InChIKey SNSQGKXXZRXXJB-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 Oc1ccccc1CCCNc2cccc3C(=O)NC(=O)c23 ACDLabs 12.01 C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O Formula C17 H16 N2 O3 Name 4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione ChEMBL DrugBank ZINC PDB chain 7k5g Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7k5g Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Resolution 1.95 Å Binding residue (original residue number in PDB) L27 M31 W35 I79 E81 Binding residue (residue number reindexed from 1) L27 M31 W35 I79 E81 Annotation score 1 Binding affinity MOAD: Kd=1.4uM

Enzymatic activity Enzyme Commision number 1.16.3.1: ferroxidase.

Gene Ontology Molecular Function GO:0004322 ferroxidase activity GO:0005506 iron ion binding GO:0008199 ferric iron binding GO:0015093 ferrous iron transmembrane transporter activity GO:0016491 oxidoreductase activity GO:0020037 heme binding GO:0046872 metal ion binding

	Biological Process
GO:0006826	iron ion transport
GO:0006879	intracellular iron ion homeostasis
GO:0006880	intracellular sequestering of iron ion
GO:0034755	iron ion transmembrane transport

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0070288	ferritin complex

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