Structure of PDB 8ujf Chain B Binding Site BS01

Receptor Information
>8ujf Chain B (length=524) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEGAGPGRLHGRLGIKPDGQPGYTRAPSPPTDLSMPQALARGGGFNLYLS
DHLELDRTAPDARHASCRQLHYDLSTLPKASVIIVFYNEPFSTLMRSVHS
VLNGTPPQILEELILVDDGSTLPYIREDGNQQLVEYLKLLPAKVRLIRNE
VRKGIVGARMKGIRASRAPIFAILDSHIEVSPQWLEPLLLRIKEDSRRVV
MPQIDGIDAETFKHIAGCKLGFLWKLMEHSYEGHQTARLPPEERQPSPTD
FQTSPAMAGGLFAANKAFFFDVGAYDEDFQFWGTENLELSFRLWQCGGVL
ECAPCSRVYHIFRKGGSGYSSPGDSITINKMRTMLWMDEYADLAWRVIGK
PRVNYRPESLEKRREWRKRKGCKSFRWFMENVFPEGDVVTLDDVPYLGPL
RNDKIGMCLDNMGWASPGHAVGLEYCHGGDTQTFMFFRKVGHVMPVNDDE
ACLQPSGRLDWCRGTAQFWWDFTSSGQLMFRETKQCLSAFGRKLRMVECD
DTDPYQIWSWTAYNPPDTFTFPSV
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain8ujf Chain B Residue 701 [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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PDB8ujf A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		F187 Y188 D219 R253 G255 I256 D276 S277 H278 R417 Y423
Binding residue
(residue number reindexed from 1)		F86 Y87 D118 R152 G154 I155 D175 S176 H177 R313 Y319
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
External links