Structure of PDB 3aje Chain A Binding Site BS01

Receptor Information
>3aje Chain A (length=329) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQIIKIDPLNPEIDKIKIAADVIRNGGTVAFPTETVYGLGANAFDGNACL
KIFQAKNRPVDNPLIVHIADFNQLFEVAKDIPDKVLEIAQIVWPGPLTFV
LKKTERVPKEVTAGLDTVAVRMPAHPIALQLIRESGVPIAAPSANLATRP
SPTKAEDVIVDLNGRVDVIIDGGHTFFGVESTIINVTVEPPVLLRPGPFT
IEELKKLFGEIVIPHYAPNTRLLLVENRNIFKDVVSLLSKKYKVALLIPK
ELSKEFEGLQQIILGSDENLYEVARNLFDSFRELDKLNVDLGIMIGFPER
GIGFAIMNRARKASGFSIIKAISDVYKYV
Ligand information
Ligand IDTHR
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)O
FormulaC4 H9 N O3
NameTHREONINE
ChEMBLCHEMBL291747
DrugBankDB00156
ZINCZINC000000895103
PDB chain3aje Chain A Residue 353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aje Crystal structure of Sulfolobus tokodaii Sua5 complexed with L-threonine and AMPPNP
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T36 V37 G39 H68 R122 A142 E181 S182
Binding residue
(residue number reindexed from 1)		T35 V36 G38 H67 R121 A141 E180 S181
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=5.03,Kd=9.3uM
Enzymatic activity
Enzyme Commision number 2.7.7.87: L-threonylcarbamoyladenylate synthase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003725 double-stranded RNA binding
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0061710 L-threonylcarbamoyladenylate synthase
Biological Process
GO:0006450 regulation of translational fidelity
GO:0008033 tRNA processing
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3aje, PDBe:3aje, PDBj:3aje
PDBsum3aje
PubMed21538543
UniProtQ970S6|SUA5_SULTO Threonylcarbamoyl-AMP synthase (Gene Name=sua5)

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