Structure of PDB 7ebq Chain A Binding Site BS01

Receptor Information
>7ebq Chain A (length=522) Species: 349741 (Akkermansia muciniphila ATCC BAA-835) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPNILFIITDDHAYQTLGTGNNDSPVALPNFNKLGRQGMVFDRSYCANSL
CGPSRACILTGRHSHMNGFVFNGQRPLDGSQPTYPKMLQKAGYQTGLFGK
WHLESDPTGFDTWEIFPGQGSYYNPDFISLKPDGKRQTKRFPGYATDVVT
DKSIQWLGNRDKNKPFLLVVGHKAPHRAWCPALRHLGKVDTSSMTPPANF
HDDYANRPEFLKKNQQTVANHMAIYSDLKVLKDQVPEEMRKSIVSPGYGW
DLGELNRMTPEEKKTWTDYYAKRTKSLVDGMKSGKLKDPKAFAEWKWHAY
MEDYLGCLLSVDDSIGRLMEYLDKEGIAKDTLVIYCGDQGFYMGEHGMYD
KRWIFEESLRMPLIMRWPGKIPAGIRNNTMVQNIDYAPTIVSAAGADTPE
NMNTFQGVSLLPTAFTGKTPDNWRDAIYYCFYENPGEHNAPRHDGIRTDR
YTLSYIWTSDEWMLFDMKKDPMQMKNVIDDPAYKTTVEQLKKRYHELRKT
YKVPENSPGGKGTPIPKFDASW
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 chain7ebq Chain A Residue 602 [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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PDB7ebq Structural analysis of the sulfatase AmAS from Akkermansia muciniphila.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D40 D41 C81 D368 Q369 K381
Binding residue
(residue number reindexed from 1)		D10 D11 C51 D338 Q339 K351
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:7ebq, PDBe:7ebq, PDBj:7ebq
PDBsum7ebq
PubMed34866616
UniProtB2UR15

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