Structure of PDB 5u81 Chain A Binding Site BS03

Receptor Information

>5u81 Chain A (length=369) Species: 10181 (Heterocephalus glaber)

WTEDCRKSTYPPSGPTYRGPVPWYTINLDLPPYKRWHELMVDKGPMLKII
VNSFKNMVNTFVPSGKVMQMVDQKLPDLLGQFSGPYEEEMKGIADVTEIP
LGEIISFNIFYELFTMATSIITEDKKGHLLHVRNMDFGIFLGWNINNNTW
VITEELKPLTVNLDFQRNSKTVFKATSFAGYVGMLTGFKPGQFSLTLNER
FSMNGGYLGLLEWILGKKDASWIGFITRSVLENATSYEEAKNILAKTKLL
APAYFILGGNQSGEGCVITRERKDSLDIYELDPKQGRWYVVQTNYDRWKN
PLFLDDRRTPAQTCLKRTTQESLSFATLYDILSTKPVLNKLTVFTALMDV
TKNHYEAYLRDCPDPCVGW

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 5u81 Chain C Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u81 Structural basis for the activation of acid ceramidase.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): D55 L56
• Binding residue (residue number reindexed from 1): D29 L30
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.23: ceramidase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0017040 N-acylsphingosine amidohydrolase activity
• GO:0017064 fatty acid amide hydrolase activity

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0006665 sphingolipid metabolic process

Cellular Component

• GO:0005576 extracellular region
• GO:0005764 lysosome

External links

• PDB: RCSB:5u81, PDBe:5u81, PDBj:5u81
• PDBsum: 5u81
• PubMed: 29692406
• UniProt: G5AP74