Structure of PDB 1tke Chain A Binding Site BS01

Receptor Information

>1tke Chain A (length=224) Species: 562 (Escherichia coli)

MPVITLPDGSQRHYDHAVSPMDVALDIGPGLAKACIAGRVNGELVDACDL
IENDAQLSIITAKDEEGLEIIRHSCAHLLGHAIKQLWPHTKMAIGPVIDN
GFYYDVDLDRTLTQEDVEALEKRMHELAEKNYDVIKKKVSWHEARETFAN
RGESYKVSILDENIAHDDKPGLYFHEEYVDMCRGPHVPNMRFCHHFKLMK
TAGAYWRGDSNNKMLQRIYGTAWA

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 1tke Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tke Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution.
• Resolution: 1.46 Å
• Binding residue (original residue number in PDB): H73 H77 G95 Y104 D180 M181 C182
• Binding residue (residue number reindexed from 1): H73 H77 G95 Y104 D180 M181 C182
• Annotation score: 2

Enzymatic activity

• 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:0005524 ATP binding

Biological Process

• GO:0043039 tRNA aminoacylation

External links

• PDB: RCSB:1tke, PDBe:1tke, PDBj:1tke
• PDBsum: 1tke
• PubMed: 15525511
• UniProt: P0A8M3|SYT_ECOLI Threonine--tRNA ligase (Gene Name=thrS)