Structure of PDB 5ege Chain C Binding Site BS01

Receptor Information

>5ege Chain C (length=392) Species: 10090 (Mus musculus)

RKLLVLLLDGFRSDYISEDALASLPGFREIVNRGVKVDYLTPDFPSLSYP
NYYTLMTGRHCEVHQMIGNYMWDPRTNKSFDIGVNRDSLMPLWWNGSEPL
WITLMKARRKVYMYYWPGCEVEILGVRPTYCLEYKTVPTDINFANAVSDA
LDSLKSGRADLAAIYHERIDVEGHHYGPSSPQRKDALRAVDTVLKYMIQW
IQDRGLQQDLNVILFSDHGMTDIFWMDKVIELSNYISLDDLQQVKDRGPV
VSLWPVPGKHSEIYHKLRTVEHMTVYEKESIPNRFYYKKGKFVSPLTLVA
DEGWFIAESREMLPFWMNSTGKREGWQRGWHGYDNELMDMRGIFLAIGPD
FKSNFRAAPIRSVDVYNIMAHVAGITPLPNNGSWSRVVSMLK

Ligand information

• Ligand ID: FUL
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1
• InChIKey: SHZGCJCMOBCMKK-KGJVWPDLSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  CACTVS 3.341: C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: beta-L-fucopyranose;
  beta-L-fucose;
  6-deoxy-beta-L-galactopyranose;
  L-fucose;
  fucose;
  6-DEOXY-BETA-L-GALACTOSE
• ChEMBL: CHEMBL1230861
• DrugBank: DB03283
• ZINC: ZINC000001532813
• PDB chain: 5ege Chain I Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ege Structure and biological function of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): W339 W349 R351
• Binding residue (residue number reindexed from 1): W316 W326 R328
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.-
  3.1.4.38: glycerophosphocholine cholinephosphodiesterase.

External links

• PDB: RCSB:5ege, PDBe:5ege, PDBj:5ege
• PDBsum: 5ege
• PubMed: 26888014
• UniProt: Q8BGN3|ENPP6_MOUSE Glycerophosphocholine cholinephosphodiesterase ENPP6 (Gene Name=Enpp6)