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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

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Structure of PDB 4o2d Chain B Binding Site BS01

Receptor Information >4o2d Chain B (length=515) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VLRTHAAGSLRPADAGQTVTLAGWVARRRDHGGVIFIDLRDASGVSQVVF REGDVLAAAHRLRAEFCVAVTGVVEVRPEGNENPEIPTGQIEVNATELTV LGESAPLPFQLDEQAGEEARLKYRYLDLRREGPGNALRLRSKVNAAARSV LAEHDFVEIETPTLTRSTPEGARDFLVPARLQPGSFYALPQSPQLFKQLL MVAGMERYYQIARCYRDEDFDRQPEFTQLDMEMSFVEADDVIAISEQVLK AVWATIGYDLPLPLPRISYEEAMRRFGSDKPDLRFGIELVECTEYFPYVG AVVMPWQEFAKQRGFFAAGPAKGARALLGATRIEIAKRLDLIDPNAWAFT WVVDFPMFEAADEATAAGDVAVGSGAWTAMHHAFTAPKPDSVDTFDSDPG NALSDAYDIVCNGNEIGGGSIRIHRRDIQERVFAMMGIDHDEAQEKFGFL LDAFSYGAPPHGGIAFGWDRITALLAGVDSIREVIAFPKSGGGVDPLTDA PAPITPQQRKESGID

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 4o2d Chain B Residue 801 [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 4o2d Increasing the structural coverage of tuberculosis drug targets. Resolution 2.6 Å Binding residue (original residue number in PDB) E171 S193 Q195 Q231 H450 G486 R490 I532 A533 Binding residue (residue number reindexed from 1) E170 S192 Q194 Q228 H382 G418 R422 I464 A465 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) R217 E219 R225 Q226 E483 G486 R538 Catalytic site (residue number reindexed from 1) R216 E218 R222 Q223 E415 G418 R470 Enzyme Commision number 6.1.1.23: aspartate--tRNA(Asn) ligase.

Gene Ontology Molecular Function GO:0000166 nucleotide binding GO:0003676 nucleic acid binding GO:0004812 aminoacyl-tRNA ligase activity GO:0004815 aspartate-tRNA ligase activity GO:0005524 ATP binding GO:0016874 ligase activity GO:0050560 aspartate-tRNA(Asn) ligase activity

	Biological Process
GO:0006412	translation
GO:0006418	tRNA aminoacylation for protein translation
GO:0006422	aspartyl-tRNA aminoacylation

	Cellular Component
GO:0005737	cytoplasm

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