Structure of PDB 7wdt Chain A Binding Site BS03

Receptor Information
>7wdt Chain A (length=819) Species: 398514 (Bifidobacterium bifidum JCM 1254) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVSNLATMATVTASGREVSSGFGPELAADNQDLPDNPTDKSVHNASGASR
WSADRGSGPWWLAYEFPGEATISSVNIAWGNTYATNYSIQTSDDGSNWTD
VKTGLKATAQAQWVKTTFDTPIKTRHIRMIATTKSQSWSLSVWEMRTMGT
ISAVATDPLSRLTPRPLYAQSADGEAFELKKNTCVSVSDGSLLPAVDVMR
DELGTSYGLKLAEGTNCPITFTLDENLDVTGHVGSAQSITADEAYTIVSD
ADSVTVKARSATAGIWAAQTLLQLIGPWTNSTVKLADVAFIPAVNIADAP
RYQWRGVLVDPARSFYPLDEMKQMIDVMSAYKMNTLHLHLSEDEGFRVEI
TNDGRADGDTTDYTQLAIKSGAISYQSAWTSNWSPAQDGRTGYWTQSEFI
ELVAYAADHGIAIVPEIDGPGHSFSLLHGLAELNTGNSNPKPAAGEDTPA
FIQSAQGRSSLATDADITYTVLGHIMDQLDGMIDKGIKASTMPASELKRM
YFHLGGDELFLSGGAGNKTERLQEYLGRSGALVKERDKTTIVWNDGLDAV
DQIPEGSVVQHWTGNAANNASIQKLLNQRNGKIIMSPAGNTYFPQRPGTE
TTGVTWACGACTTSNFYQWNPTSSAGTTEDKVLGVEDALWSEHLRSLNDA
EFLMYTRMMATAEVGWTQQNRKDYDNWNKRVGDIAIDLMNRGANFHKATE
VTSWKGSYAAVDAAEQKVTDGKVLVGRYAEPGLTGTDGLSFTATYTAEGG
AVNLPVTPDMKQTYSQQQLKNGRLVVNGAHMNSIVDVYVTLPSDVLAADS
VGRLDVSVSSSTYHHHHHH
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7wdt Chain A Residue 903 [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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PDB7wdt A bacterial sulfoglycosidase highlights mucin O-glycan breakdown in the gut ecosystem.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		L71 D74 S94 W188 E189
Binding residue
(residue number reindexed from 1)		L26 D29 S49 W143 E144
Annotation score4
Enzymatic activity
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
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7wdt, PDBe:7wdt, PDBj:7wdt
PDBsum7wdt
PubMed36864192
UniProtD4QAP5

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