Structure of PDB 8qf8 Chain B Binding Site BS02

Receptor Information
>8qf8 Chain B (length=771) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHQVSYFSLQDVKLLSSPFLQAQQTDLHYILALDPDRLSAPFLREAGLTP
KAPSYTNWENTGLDGHIGGHYLSALSMMYAATGDTAIYHRLNYMLNELHR
AQQAVGTGFIGGTPGSLQLWKEIKAGDIRAGGFSLNGKWVPLYNIHKTYA
GLRDAYLYAHSDLARQMLIDLTDWMIDITSGLSDNQMQDMLRSEHGGLNE
TFADVAEITGDKKYLKLARRFSHKVILDPLIKNEDRLNGMHANTQIPKVI
GYKRVAEVSKNDKDWNHAAEWDHAARFFWNTVVNHRSVCIGGNSVREHFH
PSDNFTSMLNDVQGPETCNTYNMLRLTKMLYQNSGDVDNSNKPDPRYVDY
YERALYNHILSSQEPDKGGFVYFTPMRPGHYRVYSQPETSMWCCVGSGLE
NHTKYGEFIYAHQQDTLYVNLFIPSQLNWKEQGVTLTQETLFPDDEKVTL
RIDKAAKKNLTLMIRIPEWAYEITINGKKHTGASTYLPIRRKWKKGDMIT
FHLPMKVSLEQIPDKKDYYAFLYGPIVLATSTGTENLDGIYADDSRGGHI
AHGRQTPLQEIPMLIGNPDSIRHSLHKLSGSKLAFSYDGNVYPTQKSKSL
ELIPFFRLHNSRYAVYFRQASEEQFKTIQEEMATAERKATELANRTVDLI
FPGEQQPESDHSIQYEASETGTHKDRHFRRAKGWFSYNLKIKEEASQLMI
TVRQEDRNKAVILLNNEKLTVHPTVSKADKDGFIRLCYLLPRKLKVGSCE
ILFKPDGTEWTSAVYEVRLLK
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 chain8qf8 Chain B Residue 902 [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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PDB8qf8 beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E337 C339 C414 C415
Binding residue
(residue number reindexed from 1)		E316 C318 C393 C394
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8qf8, PDBe:8qf8, PDBj:8qf8
PDBsum8qf8
PubMed38051515
UniProtA0A6I0SRL5

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