Structure of PDB 8ayr Chain A Binding Site BS01

Receptor Information
>8ayr Chain A (length=677) Species: 239935 (Akkermansia muciniphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCLTPLKPVPSAEQLEWHDMEMYAFVHFTINTFTGKEWGYGDEKPELFHP
SDFDADDLVRTLADAGFKGVVLTCKHHDGFCLWPTKTTLHSVAASPWKQG
KGDVVKEVSRACGKYGVRFGVYLSPWDRNAASYGTPDYIRMYRQQLKELA
TGYGSIFLAWFDGANGGDGYYGGARERRSIDRSAYYDWKATWGELKKRQP
GAVIFSDVGPDVRWVGNESGYAGYPCWATYTPVPLQAGTEPAPGTVRYRL
GTEGTMDGKYWIPAEVDVSIRPGWFWHEHENSRVRTPENLLKLYFDSVGR
GANLNLNVPPDRRGRIHEEDKKSLAGFRVLLDELYSRNFASGAQAESSSS
WKGHGAEQVLDRKRTTYWVAAPEDKHPCVVLKLPEPAAFDVIRLAEPIQL
GQRVRKFRVEVRENGQWSKWTEGASIGARVLLKGRPVTADGVRVVLEQSR
AVPALCEVSLWKYPVILNAPAVNYDRNGRVTLASAENVVIRYTTDGTEPG
PQSAMYRNPFFLPAGGTVKAAAEYRGRKSSVTTQIIPVPTRDWKVVAGER
SAAAPELAIDGDSSTLWHTHAAQGELAPPQALEIDMGRPVNVAAVIYTPR
RDSSTGTVDRYAVYLSMDGNTWGAPAAEGEFSNIRANPVPQRIDLKAPVK
ARYLRFVGKRVVEGSHVAVAELGVLGK
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 chain8ayr Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ayr Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Q386 D389 K391 T394 C484
Binding residue
(residue number reindexed from 1)		Q358 D361 K363 T366 C456
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8ayr, PDBe:8ayr, PDBj:8ayr
PDBsum8ayr
PubMed37005422
UniProtB2UQE4

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