Structure of PDB 6je8 Chain A Binding Site BS01

Receptor Information
>6je8 Chain A (length=469) Species: 349741 (Akkermansia muciniphila ATCC BAA-835) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAQYSIIPEPSRTELRQETAKTLQLLSDQEVPTLETDAYRLTVTPQGAHL
ASGGREGRIYGLATLRQLRDQLAGQPEGIPCGVITDKPRYPWRGLMVDPA
RHFIPAADLKKFVDMMAYYKFNRLHLHLTDNQGWRLPVPGYPKLKSVASR
REESFGDGIPHEGMYTKQELKELVAYCAARGIDVIPEIDMPGHNQALHAA
YPEFFCFPKPDMNVRTTAGNSKELVCPQKPEVWKFYASVFNELKDIFPSG
IVHLGGDEAPTELWEKCPLCREARTRAAMKDEQEQMKAFFAKTAALLAKN
GQTPQFWYEGNAGIYHPGETVYAWRQGQALQSIEKTKKAGLNLIMASSEY
CYLDFPQIQGQRNWGWMKTTTLQKCYDLDPAFGKPEKEAGHIRGVHAPVW
AERLPDLNHLLYRAYPRACAIAEAGWSPMGVRSWENFRRKLADHRQFILK
RFNYDMERTQGNEPAFRWE
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 chain6je8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6je8 Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Resolution1.798 Å
Binding residue
(original residue number in PDB)		C227 C247 C288
Binding residue
(residue number reindexed from 1)		C206 C226 C267
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D278 E279
Catalytic site (residue number reindexed from 1) D257 E258
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0016231 beta-N-acetylglucosaminidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0032428 beta-N-acetylgalactosaminidase activity
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0030203 glycosaminoglycan metabolic process
GO:0052781 chitobiose catabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6je8, PDBe:6je8, PDBj:6je8
PDBsum6je8
PubMed30846208
UniProtB2UP57|H2018_AKKM8 Beta-hexosaminidase Amuc_2018 (Gene Name=Amuc_2018)

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