Structure of PDB 4yyy Chain B Binding Site BS02

Receptor Information
>4yyy Chain B (length=440) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHD
MTMPERVSLTMAMRDSGTVLDWKSLNLNGPIVDKHSTGGVGDVTSLMLGP
MVAACGGYVPMISGRGLGHTGGTLDKLEAIPGFDIFPDDNRFREIIQDVG
VAIIGQTSSLAPADKRFYATRDITATVDSIPLITGSILAKKLAEGLDALV
MDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSA
GNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGQLAKDDAEARAKL
QAVLDNGKAAEVFGRMVAAQKGPSDFVENYDKYLPTAMLSKAVYADTEGF
ISAMDTRALGMAVVSMGGGRRQASDTIDYSVGFTDMARLGDSIDGQRPLA
VIHAKDEASWQEAAKAVKAAIILDDKAPASTPSVYRRITE
Ligand information
Ligand IDURI
InChIInChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKeyDRTQHJPVMGBUCF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H12 N2 O6
NameURIDINE
ChEMBLCHEMBL100259
DrugBankDB02745
ZINCZINC000002583633
PDB chain4yyy Chain B Residue 502 [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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PDB4yyy Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		S248 Q261 Y267
Binding residue
(residue number reindexed from 1)		S248 Q261 Y267
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D83 K84 H85 S86 T123 D164 R171 S186 K190 K191
Catalytic site (residue number reindexed from 1) D83 K84 H85 S86 T123 D164 R171 S186 K190 K191
Enzyme Commision number 2.4.2.4: thymidine phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0009032 thymidine phosphorylase activity
GO:0016154 pyrimidine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
Biological Process
GO:0006206 pyrimidine nucleobase metabolic process
GO:0006213 pyrimidine nucleoside metabolic process
GO:0046104 thymidine metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yyy, PDBe:4yyy, PDBj:4yyy
PDBsum4yyy
PubMed26919527
UniProtQ7CP66|TYPH_SALTY Thymidine phosphorylase (Gene Name=deoA)

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