Structure of PDB 5e5u Chain A Binding Site BS01

Receptor Information

>5e5u Chain A (length=264) Species: 10090 (Mus musculus)

DPYWAYSGAYGPEHWVTSSVSCGGSHQSPIDILDHHARVGDEYQELQLDG
FDNESSNKTWMKNTGKTVAILLKDDYFVSGAGLPGRFKAEKVEFHWGHSN
GSAGSEHSVNGRRFPVEMQIFFYNPDDFDSFQTAISENRIIGAMAIFFQV
SPRDNSALDPIIHGLKGVVHHEKETFLDPFILRDLLPASLGSYYRYTGSL
TTPPCSEIVEWIVFRRPVPISYHQLEAFYSIFTTEQQDHVKSVEYLRNNF
RPQQALNDRVVSKS

Ligand information

• Ligand ID: 1PS
• InChI: InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [O-][S](=O)(=O)CCC[n+]1ccccc1
  ACDLabs 10.04: [O-]S(=O)(=O)CCC[n+]1ccccc1
  OpenEye OEToolkits 1.5.0: c1cc[n+](cc1)CCCS(=O)(=O)[O-]
• Formula: C8 H11 N O3 S
• Name: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
  1-(3-SULFOPROPYL) PYRIDINIUM;
  PPS
• PDB chain: 5e5u Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5e5u Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): W116 E230 F232
• Binding residue (residue number reindexed from 1): W60 E174 F176
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K122 E149 H151 E162 Q175 T257
• Catalytic site (residue number reindexed from 1): K66 E93 H95 E106 Q119 T201
• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding

External links

• PDB: RCSB:5e5u, PDBe:5e5u, PDBj:5e5u
• PDBsum: 5e5u
• PubMed: 27539848
• UniProt: Q05909|PTPRG_MOUSE Receptor-type tyrosine-protein phosphatase gamma (Gene Name=Ptprg)