Structure of PDB 5wzr Chain B Binding Site BS03

Receptor Information
>5wzr Chain B (length=630) Species: 1681 (Bifidobacterium bifidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMQFTMSGTMLRFDETTLRFSFSRDGATWSGCDGIEPQLTREDRSFSFAG
AATVTHERIETGTGVGVRSVFAGFAGADYAFETYIWIERSSGDVLCEWVP
LRECGAEPRIDRVLWPAPLSFDRADAHDVTLITHEQGVMIPNSWPTEVGT
DAVSFGGRFETAGGYMPWFAQLRSDGHAYIAICETPWNAGYDIDHPAGGP
YTHVGMWFEPSLGRMDYRRVVRYRLLDHADHTAICKTYRAYVNERGRLRT
LAEKAARNPSVRDLLGRSWVHVGIKTNVQPDSSFYDPAQPGKNDSLVTFA
QRERQMRTLHEMGAGRLYLHLDGWAQPGYDNGHPDYLPACREAGGWKGMK
SLIDACHEQGDLFGTHDQYRDYYFAARTFDPRNAIRLADGTMPEHAMWAG
GRQTYLCAELAPDYVRRNFSEIATHGIVLDCAYLDVFTCNEGDECSHPEH
RMTRRECYERRAECFEYLLAHGILTSSEEVSDWAVPSLVFCHYAPYDFQM
RSPDAPRHGIPVPLYNLVYHDCVIQPWMMDRVAGGDDYMLYALLNGGAPY
LIRDAAYAGMDGDMNAALRARTENDIERCAVVAGLHRRVGMQELVRHDLV
GGDPLVQRSVFADGTAVTCDFHAQTYEVAA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5wzr Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wzr The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
Resolution2.79 Å
Binding residue
(original residue number in PDB)		H271 H320 D322 H366
Binding residue
(residue number reindexed from 1)		H271 H320 D322 H366
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033926 endo-alpha-N-acetylgalactosaminidase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5wzr, PDBe:5wzr, PDBj:5wzr
PDBsum5wzr
PubMed28546425
UniProtG5ELM1

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