Structure of PDB 7exv Chain A Binding Site BS02

Receptor Information
>7exv Chain A (length=649) 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]
MNVTITSPFWKRRRDQIVESVIPYQWGVMNDEIDTTVPDDPAGSKSHAVA
NLKVAAGELDDEFHGMVFQDSDVYKWLEEAAYALAYHPDPELKALCDRTV
DLIARAQQSDGYLDTPYQIKSGVWADRPRFSLIQQSHEMYVMGHYIEAAV
AYHQVTGNEQALEVAKKMADCLDANFGPEEGKIHGADGHPEIELALAKLY
EETGEKRYLTLSQYLIDVRGQDPQFYAKQLKAMNGDNIFHYKPTYFQAAE
PVRDQQTADGHAVRVGYLCTGVAHVGRLLGDQGLIDTAKRFWKNIVTRRM
YVTGAIGSTHVGESFTYDYDLPNDTMYGETCASVAMSMFAQQMLDLEPKG
EYADVLEKELFNGSIAGISLDGKQYYYVNALETTPDGLDNPDRHHVLSHR
VDWFGCACCPANIARLIASVDRYIYTERDGGKTVLSHQFIANTAEFASGL
TVEQRSNFPWDGHVEYTVSLPASATDSSVRFGLRIPGWSRGSYTLTVNGK
PAVGSLEDGFVYLVVNAGDTLEIALELDMSVKFVRANSRVRSDAGQVAVM
RGPLVYCAEQVDNPGDLWNYRLADGVTGADAAVAFQADLLGGVDTVDLPA
VREHADEDDAPLYVDADEPRAGEPATLRLVPYYSWANREIGEMRVFQRR
Ligand information
Ligand ID08U
InChIInChI=1S/C7H12BrNO5/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7/h3,5-7,10,12-13H,1-2H2,(H,9,11)/t3-,5-,6+,7-/m0/s1
InChIKeyVXNDJHIRTVJHQB-OIADKPKDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@@H]1O[C@H](NC(=O)CBr)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O
CACTVS 3.385OC[CH]1O[CH](NC(=O)CBr)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)NC(=O)CBr)O)O)O
FormulaC7 H12 Br N O5
Name2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
ChEMBLCHEMBL5205460
DrugBank
ZINC
PDB chain7exv Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7exv Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F73 H142 Y145 H194 H270 E338 Y386 C415 C417
Binding residue
(residue number reindexed from 1)		F68 H137 Y140 H189 H261 E329 Y377 C406 C408
Annotation score2
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:7exv, PDBe:7exv, PDBj:7exv
PDBsum7exv
PubMed34735571
UniProtE8MGH8|HYBA1_BIFL2 Non-reducing end beta-L-arabinofuranosidase (Gene Name=hypBA1)

[Back to BioLiP]