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 6huc Chain K Binding Site BS01

Receptor Information >6huc Chain K (length=212) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAA DCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTM ICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSV EDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKV KEEEGSFNNVIG

Ligand information Ligand ID GRT InChI InChI=1S/C29H41N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-12,20,24-26H,13-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/t24-,25+,26+/m1/s1 InChIKey POJZTOVJTGGZDY-ZNZIZOMTSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.6 CC(C)CC(C(=O)NCC(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-] CACTVS 3.385 CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 OpenEye OEToolkits 2.0.6 CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-] CACTVS 3.385 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 Formula C29 H41 N7 O5 S Name (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide ChEMBL DrugBank ZINC PDB chain 6huc Chain K Residue 301 [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 6huc Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. Resolution 3.0 Å Binding residue (original residue number in PDB) T1 T21 V31 K33 M45 G47 A49 S131 Binding residue (residue number reindexed from 1) T1 T21 V31 K33 M45 G47 A49 S131 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) T1 D17 R19 K33 G47 S131 D168 S171 Catalytic site (residue number reindexed from 1) T1 D17 R19 K33 G47 S131 D168 S171 Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.

Gene Ontology Molecular Function GO:0004298 threonine-type endopeptidase activity

	Biological Process
GO:0051603	proteolysis involved in protein catabolic process

	Cellular Component
GO:0005839	proteasome core complex

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component