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Structure of PDB 7k5f Chain J Binding Site BS03

Receptor Information >7k5f Chain J (length=156) 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 QSHMHE

Ligand information Ligand ID VXP InChI InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21) InChIKey FVZAQJMHARITOQ-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O CACTVS 3.385 Oc1cc(Cl)cc(CNc2cccc3C(=O)NC(=O)c23)c1 ACDLabs 12.01 c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl Formula C15 H11 Cl N2 O3 Name 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione ChEMBL DrugBank ZINC PDB chain 7k5f Chain J Residue 202 [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 7k5f 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) P69 L71 Binding residue (residue number reindexed from 1) P69 L71 Annotation score 1 Binding affinity MOAD: Kd=11uM

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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