Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 7k5e Chain G Binding Site BS01

Receptor Information >7k5e Chain G (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 VXM InChI InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21) InChIKey KOZDXWZBBVAXGG-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O CACTVS 3.385 Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23 ACDLabs 12.01 C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O Formula C15 H11 F N2 O3 Name 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione ChEMBL DrugBank ZINC PDB chain 7k5e Chain G 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 7k5e Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Resolution 1.75 Å Binding residue (original residue number in PDB) L68 P69 N70 L71 Binding residue (residue number reindexed from 1) L68 P69 N70 L71 Annotation score 1 Binding affinity MOAD: Kd=7uM

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

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component