Structure of PDB 4mzu Chain A Binding Site BS03

Receptor Information
>4mzu Chain A (length=285) Species: 318161 (Shewanella denitrificans OS217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIHKLADVQSQNIGDNTKVWQFCVILAGAVIGRNCNICANSLIENDVVIG
DNVTIKSGVQIWDGIHIQDDVFIGPNVTFTNDKLKTIVKKGASIGANSTI
LPGILIGENAMVGAGAVITKNVPDNAIVIGNPGRITGYVEANNFELKLQM
SKVKGVSLHKFHLVNDLRGNLSVGEFEKDIPFTPKRYFTVFGVPNKEVRG
EHAHKECKQFLICVSGNCSVLVDDGENREEYVLDSIDKGIYLPPMTWGVQ
YKYSKDAVLLVFASHYYDSDDYIRDYSTFKQMRQN
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 chain4mzu Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mzu Structural and Biochemical Characterization of a Bifunctional Ketoisomerase/N-Acetyltransferase from Shewanella denitrificans.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W20 Q21 C38 A39
Binding residue
(residue number reindexed from 1)		W20 Q21 C38 A39
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4mzu, PDBe:4mzu, PDBj:4mzu
PDBsum4mzu
PubMed24128043
UniProtQ12KT8

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