Structure of PDB 7bzl Chain A Binding Site BS02

Receptor Information
>7bzl Chain A (length=657) 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
LAKLYEETGEKRYLTLSQYLIDVRGQDPQFYAKQLKAMNGDNIFHGFYKP
TYFQAAEPVRDQQTADGHAVRVGYLCTGVAHVGRLLGDQGLIDTAKRFWK
NIVTRRMYVTGAIGSTHVGESFTYDYDLPNDTMYGETCASVAMSMFAQQM
LDLEPKGEYADVLEKELFNGSIAGISLDGKQYYYVNALETTPDGLDNPDR
HHVLSHRVDWFGCACCPANIARLIASVDRYIYTERDGGKTVLSHQFIANT
AEFASGLTVEQRSNFPWDGHVEYTVSLPASATDSSVRFGLRIPGWSRGSY
TLTVNGKPAVGSLEDGFVYLVVNAGDTLEIALELDMSVKFVRANSRVRSD
AGQVAVMRGPLVYCAEQVDNPGDLWNYRLADGVTGADAAVAFQADLLGGV
DTVDLPAVREHADEDDAPLYVDADEPRAGEPATLRLVPYYSWANREIGEM
RVFQRRA
Ligand information
Ligand IDFE0
InChIInChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyKWAKQXVHPAXYRX-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O
CACTVS 3.385OC[C@@H]1[C@H](O)C[C@H](O)[C@H]1O
CACTVS 3.385OC[CH]1[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C1O)O)CO)O
FormulaC6 H12 O4
Name(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
ChEMBL
DrugBank
ZINC
PDB chain7bzl Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bzl Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F73 H142 Y145 H194 H270 V272 E338 Y386 C415 C417
Binding residue
(residue number reindexed from 1)		F73 H142 Y145 H194 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:7bzl, PDBe:7bzl, PDBj:7bzl
PDBsum7bzl
PubMed33528085
UniProtE8MGH8|HYBA1_BIFL2 Non-reducing end beta-L-arabinofuranosidase (Gene Name=hypBA1)

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