Structure of PDB 4gij Chain A Binding Site BS01

Receptor Information

>4gij Chain A (length=304) Species: 562 (Escherichia coli)

ISPELLQISPEVQDALKNKKPVVALESTIISHGMPFPQNAQTAIEVEETI
RKQGAVPATIAIIGGVMKVGLSKEEIELLGREGHNVTKVSRRDLPFVVAA
GKNGATTVASTMIIAALAGIKVFATGGIGGVHRGAEHTFDISADLQELAN
TNVTVVCAGAKSILDLGLTTEYLETFGVPLIGYQTKALPAFFCRTSPFDV
SIRLDSASEIARAMVVKWQSGLNGGLVVANPIPEQFAMPEHTINAAIDQA
VAEAEAQGVIGKESTPFLLARVAELTGSLKSNIQLVFNNAILASEIAKEY
QRLA

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4gij Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gij Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
• Resolution: 1.941 Å
• Binding residue (original residue number in PDB): D145 G266
• Binding residue (residue number reindexed from 1): D140 G261
• Annotation score: 1

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

External links

• PDB: RCSB:4gij, PDBe:4gij, PDBj:4gij
• PDBsum: 4gij
• PubMed: 23066817
• UniProt: P33025|PSUG_ECOLI Pseudouridine-5'-phosphate glycosidase (Gene Name=psuG)