Structure of PDB 8ujf Chain A Binding Site BS01

Receptor Information
>8ujf Chain A (length=517) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGAGPGRLHGRLGIKPDGQPGYTRAPSPPTDLSMPQALARGGGFNLYLSD
HLELDRTAPDARHASCRQLHYDLSTLPKASVIIVFYNEPFSTLMRSVHSV
LNGTPPQILEELILVDDGSTLPYIREDGNQQLVEYLKLLPAKVRLIRNEV
RKGIVGARMKGIRASRAPIFAILDSHIEVSPQWLEPLLLRIKEDSRRVVM
PQIDGIDAETFKHIAGGCKLGFLWKLMEHSYEGHQTARLPPEERQPSPTD
FQTSPAMAGGLFAANKAFFFDVGAYDEDFQFWGTENLELSFRLWQCGGVL
ECAPCSRVYHIFRKPGDSITINKMRTMLWMDEYADLAWRVIGKPRVNYRP
ESLEKRREWRKRKGCKSFRWFMENVFPEGDVVTLDDVPYLGPLRNDKIGM
CLDNMGWASPGHAVGLEYCHGGDTQTFMFFRKVGHVMPVNDDEACLQPSG
RLDWCRGTAQFWWDFTSSGQLMFRETKQCLSAFGRKLRMVECDDTDPYQI
WSWTAYNPPDTFTFPSV
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 A 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)		V186 D219 R253 D276 S277 W386 H414 R417
Binding residue
(residue number reindexed from 1)		V84 D117 R151 D174 S175 W282 H310 R313
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
External links