Structure of PDB 3fs8 Chain A Binding Site BS02

Receptor Information
>3fs8 Chain A (length=259) Species: 1517 (Thermoanaerobacterium thermosaccharolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNISKSAIIKEGVIIGENVTIEDNVYIDYGCIIRDNVHIKKGSFIGARSI
LGEYLVDFYNDRINKKHPLIIGENALIRTENVIYGDTIIGDNFQTGHKVT
IRENTKIGNNVKIGTLSDIQHHVYIGNYVNIHSNVFVGEKSIIKDFVWLF
PHVVLTNDPTPPSNELLGVTIELFAVIAARSVVLPGIHINEDALVGAGAV
VTKDVPKETVVVGNPAREICSIRKIKNKITGEQVYPWRYTFKRGMPWEET
DYDTWIKNI
Ligand information
Ligand IDTDR
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(=CNC(=O)N1)C
FormulaC5 H6 N2 O2
NameTHYMINE
ChEMBLCHEMBL993
DrugBankDB03462
ZINCZINC000000157062
PDB chain3fs8 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fs8 Structural and Functional Studies of QdtC: an N-Acetyltransferase Required for the Biosynthesis of dTDP-3-Acetamido-3,6-Dideoxy-alpha-D-Glucose.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y86 R104
Binding residue
(residue number reindexed from 1)		Y84 R102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links