Structure of PDB 8qf2 Chain A Binding Site BS02

Receptor Information
>8qf2 Chain A (length=657) Species: 216816 (Bifidobacterium longum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVTITSPFWKRRRDQIVESVIPYQWGVMNDEIDTTVPDDPAGLADSKSH
AVANLKVAAGELDDEFHGMVFQDSDVYKWLEEAAYALAYHPDPELKALCD
RTVDLIARAQQSDGYLDTPYQIKSGVWADRPRFSLIQQSHEMYVMGHYIE
AAVAYHQVTGNEQALEVAKKMADCLDANFGPEEGKIHGADGHPEIELALA
KLYEETGEKRYLTLSQYLIDVRGQDPQFYAKQLKAMNGDNIFHDLGFYKP
TYFQAAEPVRDQQTADGHAVRVGYLCTGVAHVGRLLGDQGLIDTAKRFWK
NIVTRRMYVTGAIGSTHVGESFTYDYDLPNDTMYGETCASVAMSMFAQQM
LDLEPKGEYADVLEKELFNGSIAGISLDGKQYYYVNALETTPDGLDNPDR
HHVLSHRVDWFGCACCPANIARLIASVDRYIYTERDGGKTVLSHQFIANT
AEFASGLTVEQRSNFPWDGHVEYTVSLPASATDSSVRFGLRIPGWSRGSY
TLTVNGKPAVGSLEDGFVYLVVNAGDTLEIALELDMSVKFVRANSRVRSD
AGQVAVMRGPLVYCAEQVDNPGDLWNYRLADGVTGADAAVAFQADLLGGV
DTVDLPAVREHADEDDAPLYVDADEPRAGEPATLRLVPYYSWANREIGEM
RVFQRRA
Ligand information
Ligand IDUI5
InChIInChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyXJKPQBOZNVQXOP-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(C(C1O)O)CO)N
CACTVS 3.385N[CH]1C[CH](O)[CH](O)[CH]1CO
CACTVS 3.385N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N
FormulaC6 H13 N O3
Name(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
ChEMBL
DrugBank
ZINC
PDB chain8qf2 Chain A Residue 702 [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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PDB8qf2 beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		F73 Y145 H194 H270 V272 E338 Y386 C415 C417
Binding residue
(residue number reindexed from 1)		F71 Y143 H192 H268 V270 E336 Y384 C413 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:8qf2, PDBe:8qf2, PDBj:8qf2
PDBsum8qf2
PubMed38051515
UniProtE8MGH8|HYBA1_BIFL2 Non-reducing end beta-L-arabinofuranosidase (Gene Name=hypBA1)

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