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Structure of PDB 7k5h Chain D Binding Site BS02

Receptor Information >7k5h Chain D (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 VXV InChI InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23) InChIKey BCBHSHIOMUVWNJ-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 Oc1cc(Cl)cc(CCCNc2cccc3C(=O)NC(=O)c23)c1 OpenEye OEToolkits 2.0.7 c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O ACDLabs 12.01 C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl Formula C17 H15 Cl N2 O3 Name 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione ChEMBL DrugBank ZINC PDB chain 7k5h Chain D Residue 203 [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 7k5h Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Resolution 1.9 Å Binding residue (original residue number in PDB) P69 N70 L71 Q72 Binding residue (residue number reindexed from 1) P69 N70 L71 Q72 Annotation score 1 Binding affinity MOAD: Kd=0.35uM

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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