Structure of PDB 3uh0 Chain A Binding Site BS02

Receptor Information
>3uh0 Chain A (length=420) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SATPATMTSMVSQRQDLFMTDPLSPGSMFFLPNGAKIFNKLIEFMKLQQK
FKFGFNEVVTPLIYKKTLWEKSGHWENYADDMFKVETEYGLKPMNCPGHC
LIFGKKDRSYNELPLRFSDFSPLHRNEASGALSGLTRLRKFHQDDGHIFC
TPSQVKSEIFNSLKLIDIVYNKIFPFVAESNYFINFSTRPDHFIGDLKVW
NHAEQVLKEILEESGKPWKLNPGDGAFYGPKLDIMVTDHLRKTHQVATIQ
LDFQLPERFDLKFKDQDNSYKRPIMIHRATFGSIERFMALLIDSNEGRWP
FWLNPYQAVIIPVNTKNVQQLDMCTALQKKLRNELEADDMEPVPLNDWHF
NVDLDIRNEPVGYRIKSAILKNYSYLIIVGDEEVQLQKYNIRERDNRKSF
EKLTMSQIWEKFIELEKNYK
Ligand information
Ligand IDTSB
InChIInChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1
InChIKeyUPVAPSGKXAAHBG-CKTDUXNWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341C[C@@H](O)[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N)O
ACDLabs 10.04O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(O)C
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O
FormulaC14 H21 N7 O8 S
Name5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE
ChEMBLCHEMBL1163068
DrugBankDB03355
ZINCZINC000015524571
PDB chain3uh0 Chain A Residue 1002 [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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PDB3uh0 Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		M131 R162 E164 T173 L175 F178 Q180 D182 Y270 Q287 V288 Q292 G324 S325
Binding residue
(residue number reindexed from 1)		M94 R125 E127 T136 L138 F141 Q143 D145 Y228 Q245 V246 Q250 G282 S283
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C133 R162 Q180 D182 H184 K273 H319
Catalytic site (residue number reindexed from 1) C96 R125 Q143 D145 H147 K231 H277
Enzyme Commision number 6.1.1.3: threonine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004829 threonine-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0140101 catalytic activity, acting on a tRNA
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006435 threonyl-tRNA aminoacylation
GO:0070159 mitochondrial threonyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3uh0, PDBe:3uh0, PDBj:3uh0
PDBsum3uh0
PubMed22343532
UniProtP07236|SYTM_YEAST Threonine--tRNA ligase, mitochondrial (Gene Name=MST1)

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