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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 8ecd Chain D Binding Site BS01

Receptor Information >8ecd Chain D (length=330) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HHHHLPNITILATGGTIAGGGDSATKSNYTTGKVGVENLVNAVPQLKDIA NVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETA YFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGV LVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARK HTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGN GNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGT LNPQKARVLLQLALTQTKDPQQIQQIFNQY

Ligand information Ligand ID ASP InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)N)C(=O)O OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)N)C(=O)O CACTVS 3.370 N[CH](CC(O)=O)C(O)=O CACTVS 3.370 N[C@@H](CC(O)=O)C(O)=O ACDLabs 12.01 O=C(O)CC(N)C(=O)O Formula C4 H7 N O4 Name ASPARTIC ACID ChEMBL CHEMBL274323 DrugBank DB00128 ZINC ZINC000000895032 PDB chain 8ecd Chain D Residue 902 [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 8ecd The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions. Resolution 1.62 Å Binding residue (original residue number in PDB) T12 T27 G57 S58 Q59 G88 T89 D90 Binding residue (residue number reindexed from 1) T16 T31 G61 S62 Q63 G92 T93 D94 Annotation score 5

Enzymatic activity Enzyme Commision number 3.5.1.1: asparaginase.

Gene Ontology Molecular Function GO:0004067 asparaginase activity GO:0016787 hydrolase activity GO:0042802 identical protein binding

	Biological Process
GO:0006520	amino acid metabolic process
GO:0006528	asparagine metabolic process
GO:0006530	asparagine catabolic process
GO:0051289	protein homotetramerization

	Cellular Component
GO:0030288	outer membrane-bounded periplasmic space
GO:0032991	protein-containing complex
GO:0042597	periplasmic space

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