Structure of PDB 7dif Chain A Binding Site BS01

Receptor Information
>7dif Chain A (length=656) Species: 565042 (Bifidobacterium longum subsp. longum JCM 1217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVTITSPFWKRRRDQIVESVIPYQWGVMNDEIDTTVPDDPAGNQLADSK
SHAVANLKVAAGELDDEFHGMVFQDSDVYKWLEEAAYALAYHPDPELKAL
CDRTVDLIARAQQSDGYLDTPYQIKSGVWADRPRFSLIQQSHEMYVMGHY
IEAAVAYHQVTGNEQALEVAKKMADCLDANFGPEEGKIHGADGHPEIELA
LAKLYEETGEKRYLTLSQYLIDVRGQDPQFYAKQLKAMNGDNIFHFYKPT
YFQAAEPVRDQQTADGHAVRVGYLCTGVAHVGRLLGDQGLIDTAKRFWKN
IVTRRMYVTGAIGSTHVGESFTYDYDLPNDTMYGETCASVAMSMFAQQML
DLEPKGEYADVLEKELFNGSIAGISLDGKQYYYVNALETTPDGLDNPDRH
HVLSHRVDWFGCACCPANIARLIASVDRYIYTERDGGKTVLSHQFIANTA
EFASGLTVEQRSNFPWDGHVEYTVSLPASATDSSVRFGLRIPGWSRGSYT
LTVNGKPAVGSLEDGFVYLVVNAGDTLEIALELDMSVKFVRANSRVRSDA
GQVAVMRGPLVYCAEQVDNPGDLWNYRLADGVTGADAAVAFQADLLGGVD
TVDLPAVREHADEDDAPLYVDADEPRAGEPATLRLVPYYSWANREIGEMR
VFQRRA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7dif Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dif Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E338 C340 C417 C418
Binding residue
(residue number reindexed from 1)		E335 C337 C414 C415
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.185: non-reducing end beta-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
GO:0102478 beta-L-arabinofuranosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7dif, PDBe:7dif, PDBj:7dif
PDBsum7dif
PubMed33528085
UniProtE8MGH8|HYBA1_BIFL2 Non-reducing end beta-L-arabinofuranosidase (Gene Name=hypBA1)

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