Structure of PDB 4gim Chain B Binding Site BS01

Receptor Information
>4gim Chain B (length=306) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KISPELLQISPEVQDALKNKKPVVALESTIISHGMPFPQNAQTAIEVEET
IRKQGAVPATIAIIGGVMKVGLSKEEIELLGREGHNVTKVSRRDLPFVVA
AGKNGATTVASTMIIAALAGIKVFATGGIGGVHRGAEHTFDISADLQELA
NTNVTVVCAGAASILDLGLTTEYLETFGVPLIGYQTKALPAFFCRTSPFD
VSIRLDSASEIARAMVVKWQSGLNGGLVVANPIPEQFAMPEHTINAAIDQ
AVAEAEAQGVIGKESTPFLLARVAELTGGDSLKSNIQLVFNNAILASEIA
KEYQRL
Ligand information
Ligand IDPSU
InChIInChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1
InChIKeyMOBMOJGXNHLLIR-GBNDHIKLSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O
FormulaC9 H13 N2 O9 P
NamePSEUDOURIDINE-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB03829
ZINCZINC000004095566
PDB chain4gim Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gim Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Resolution1.802 Å
Binding residue
(original residue number in PDB)		E31 T33 K93 T112 V113 G132 S147 D149 F196 L274
Binding residue
(residue number reindexed from 1)		E27 T29 K89 T108 V109 G128 S143 D145 F192 L270
Annotation score3
Enzymatic activity
Enzyme Commision number 4.2.1.70: pseudouridylate synthase.
Gene Ontology
Molecular Function
GO:0004730 pseudouridylate synthase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016829 lyase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0001522 pseudouridine synthesis
GO:0046113 nucleobase catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4gim, PDBe:4gim, PDBj:4gim
PDBsum4gim
PubMed23066817
UniProtP33025|PSUG_ECOLI Pseudouridine-5'-phosphate glycosidase (Gene Name=psuG)

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