Structure of PDB 7ebp Chain A Binding Site BS01

Receptor Information
>7ebp Chain A (length=526) Species: 349741 (Akkermansia muciniphila ATCC BAA-835) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EENKKPNILFIITDDHAYQTLGTGNNDSPVALPNFNKLGRQGMVFDRSYC
ANSLCGPSRACILTGRHSHMNGFVFNGQRPLDGSQPTYPKMLQKAGYQTG
LFGKWHLESDPTGFDTWEIFPGQGSYYNPDFISLKPDGKRQTKRFPGYAT
DVVTDKSIQWLGNRDKNKPFLLVVGHKAPHRAWCPALRHLGKVDTSSMTP
PANFHDDYANRPEFLKKNQQTVANHMAIYSDLKVLKDQVPEEMRKSIVSP
GYGWDLGELNRMTPEEKKTWTDYYAKRTKSLVDGMKSGKLKDPKAFAEWK
WHAYMEDYLGCLLSVDDSIGRLMEYLDKEGIAKDTLVIYCGDQGFYMGEH
GMYDKRWIFEESLRMPLIMRWPGKIPAGIRNNTMVQNIDYAPTIVSAAGA
DTPENMNTFQGVSLLPTAFTGKTPDNWRDAIYYCFYENPGEHNAPRHDGI
RTDRYTLSYIWTSDEWMLFDMKKDPMQMKNVIDDPAYKTTVEQLKKRYHE
LRKTYKVPENSPGGKGTPIPKFDASW
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 chain7ebp Chain A Residue 601 [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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PDB7ebp Structural analysis of the sulfatase AmAS from Akkermansia muciniphila.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D40 D41 C81 D368 Q369
Binding residue
(residue number reindexed from 1)		D14 D15 C55 D342 Q343
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ebp, PDBe:7ebp, PDBj:7ebp
PDBsum7ebp
PubMed34866616
UniProtB2UR15

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