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 3n8h Chain B Binding Site BS01

Receptor Information >3n8h Chain B (length=262) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AMIIADNIKQFHSIRNSLIKQQKIGFVPTMGALHNGHISLIKKAKSENDV VIVSIFVNPTQFNNPNDYQTYPNQLQQDIQILASLDVDVLFNPSEKDIYP DGNLLRIEPKLEIANILEGKSRPGHFSGMLTVVLKLLQITKPNNLYLGEK DYQQVMLIKQLVKDFFINTKIIVCPTQRQPSGLPLSSRNKNLTSTDIEIA NKIYEILRQDDFSNLEELTNKINSTGAKLQYIQKLNNRIFLAFYIGKVRL IDNFLKETGPSC

Ligand information Ligand ID PRO InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 InChIKey ONIBWKKTOPOVIA-BYPYZUCNSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C1C[C@H](NC1)C(=O)O CACTVS 3.341 OC(=O)[C@@H]1CCCN1 CACTVS 3.341 OC(=O)[CH]1CCCN1 OpenEye OEToolkits 1.5.0 C1CC(NC1)C(=O)O ACDLabs 10.04 O=C(O)C1NCCC1 Formula C5 H9 N O2 Name PROLINE ChEMBL CHEMBL54922 DrugBank DB00172 ZINC ZINC000000895360 PDB chain 3n8h Chain B Residue 271 [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 3n8h Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Resolution 2.001 Å Binding residue (original residue number in PDB) M29 Q60 R121 H124 D150 Q153 Binding residue (residue number reindexed from 1) M30 Q61 R122 H125 D151 Q154 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) M29 H33 H36 Q76 D77 I80 K149 S185 S186 R187 Catalytic site (residue number reindexed from 1) M30 H34 H37 Q77 D78 I81 K150 S186 S187 R188 Enzyme Commision number 6.3.2.1: pantoate--beta-alanine ligase (AMP-forming).

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004592 pantoate-beta-alanine ligase activity GO:0005524 ATP binding GO:0016874 ligase activity

	Biological Process
GO:0009058	biosynthetic process
GO:0015940	pantothenate biosynthetic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component