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●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 6rav Chain BBB Binding Site BS02

Receptor Information >6rav Chain BBB (length=275) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SLCGMVWDYHKQPWQAKISVIRPSKGHESCMGAVVSEYFVLTAAHCFTVD DKEHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDYDVALIK LKNKLKYGQTIRPICLPCTEGTTRALRLPPTTTCQQQKEELLPAQDIKAL FVSEEEKKLTRKEVYIKNGDKKGSCERDAQYAPGYDKVKDISEVVTPRFL CTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQVGVISWGVVDVCVPAHAR DFHINLFQVLPWLKEKLQDEDLGFL

Ligand information Ligand ID ZN InChI InChI=1S/Zn/q+2 InChIKey PTFCDOFLOPIGGS-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 [Zn++] ACDLabs 10.04 OpenEye OEToolkits 1.5.0 [Zn+2] Formula Zn Name ZINC ION ChEMBL CHEMBL1236970 DrugBank DB14532 ZINC PDB chain 6rav Chain BBB Residue 305 [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 6rav Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Resolution 1.7 Å Binding residue (original residue number in PDB) D171 H223 Binding residue (residue number reindexed from 1) D178 H248 Annotation score 4

Enzymatic activity Enzyme Commision number 3.4.21.47: alternative-complement-pathway C3/C5 convertase.

Gene Ontology Molecular Function GO:0004252 serine-type endopeptidase activity

	Biological Process
GO:0006508	proteolysis
GO:0006956	complement activation

	Cellular Component
GO:0005576	extracellular region

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