Structure of PDB 8df2 Chain B Binding Site BS02

Receptor Information

>8df2 Chain B (length=374) Species: 239935 (Akkermansia muciniphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GAEFTRLPVSWTVNPRDAANARAAWKTLSAYHRGKPKSSRKLHVVYVTFK
DRPALEGYRERYDHILKNIQAYYADQMQANGFPPLTFQLDLDERGKLVIH
DAYVDKPMSEMSVQSSGPVSREAARKVLASKGIDIEKEHVLVVCQLPDGV
GPYYGGGFSHQGTGWTCDQEGLDPASFLDTEMVTRGKNATIYIGGTAHEL
GHSFGLPHTGDGWNYPDAGASLMGHGNSTYGDELRHEGKGAYLAPTDALK
LASVPLFNGVETELPADASFGRMLGKYVPGSFERLEAIPVKDGLRLKGRV
HLTRPAYGIVAHLDPPGGSDYDSNAVGASLDEKGEFDLTICRPGYKGGFI
EMRVAVLNCDSTRSMITLPVWMDA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8df2 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8df2 A previously uncharacterized O-glycopeptidase from Akkermansia muciniphila requires the Tn-antigen for cleavage of the peptide bond.
Resolution	2.35 Å
Binding residue (original residue number in PDB)	D339 P340 G342 S344 D347
Binding residue (residue number reindexed from 1)	D314 P315 G317 S319 D322
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8df2, PDBe:8df2, PDBj:8df2
PDBsum	8df2
PubMed	36049519
UniProt	B2UKY7

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