Structure of PDB 3ziu Chain B Binding Site BS01

Receptor Information
>3ziu Chain B (length=575) Species: 2118 ([Mycoplasma] mobile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSHMYNHNEIEKKWQTRWEKTKAFKTTNKSKDKFYALDMFPYPSGS
GLHVGHPEGYTATDIISRYKRLKGFDVLHPIGWDAFGLPAEQYALSSGKH
PQPFTLKNIENFRRQLKSLGFSFDYEKEVNTTDPSYYRWTQWIFKQIYKK
GLAEIREVDVNWCPGLGTVLANEEIVENDKGEMVSERGSFPVYKKPMKQW
VLKITNYADRLLEDLNLLDWPDSLKKLQTNWIGKEEIDGKITYKLQDWIF
ARQRYWGEPFPVYFDEDNNVYLIDELVELPHMENIMPSGTGEGPLATNTE
WVQYKKNNKIFKRDTNTMPQWAGSCWYYLAYIMKQEDGTYLPIDSKKAYE
AFSKWLPVDLYIGGQEHAVLHLLYARFWHKILYDLKIVPTKEPFQKLINQ
GMILGKDGQKMSKSLGNVVNPDEIIQNFGADTLRVYEMFMGPLTDTKKWN
ESTVEATYKWILRVKRIFQIFIEDKSKINSLHKDDQFISEHNLLIKEITQ
DIEDLKFNIMISKLMIFVNSLYKKEKIYSLKPLKDFAIMFSTIAPHISEE
LLESLGEKEIMFQSWPTYENNKILL
Ligand information
Ligand IDLSS
InChIInChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1
InChIKeyXFEDFDTWJLGMBO-LEJQEAHTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N
ACDLabs 12.01O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C
CACTVS 3.370CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
FormulaC16 H25 N7 O7 S
Name5'-O-(L-leucylsulfamoyl)adenosine;
5-O-N-LEUCYL-SULFAMOYLADENOSINE
ChEMBLCHEMBL1163081
DrugBank
ZINCZINC000033821383
PDB chain3ziu Chain B Residue 1576 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ziu Leucyl-tRNA Synthetase Editing Domain Functions as a Molecular Rheostat to Control Codon Ambiguity in Mycoplasma Pathogens.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		M43 F44 P45 Y46 H53 G55 H56 D84 G363 G364 E366 H367 H371 Q400 M402 I403 M411
Binding residue
(residue number reindexed from 1)		M43 F44 P45 Y46 H53 G55 H56 D84 G363 G364 E366 H367 H371 Q400 M402 I403 M411
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F44 H53 H56 D84 C163 L166 W321 H367 F377 K410 K413
Catalytic site (residue number reindexed from 1) F44 H53 H56 D84 C163 L166 W321 H367 F377 K410 K413
Enzyme Commision number 6.1.1.4: leucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004823 leucine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006429 leucyl-tRNA aminoacylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ziu, PDBe:3ziu, PDBj:3ziu
PDBsum3ziu
PubMed23431144
UniProtQ6KHA5

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