Structure of PDB 5a6b Chain A Binding Site BS02

Receptor Information
>5a6b Chain A (length=612) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMVRFTGLSLKQTQAIEVLKGHISLPDVEVAVTQSDQASISIEGEEGHYQ
LTYRKPHQLYRALSLLVTVLAEADKVEIEEQAAYEDLAYMVDCSRNAVLN
VASAKQMIEILALMGYSTFELYMEDTYQIEGQPYFGYFRGAYSAEELQEI
EAYAQQFDVTFVPCIQTLAHLSAFVKWGVKEVQELRDVEDILLIGEEKVY
DLIDGMFATLSKLKTRKVNIGMDEAHLVGLGRYLILNGVVDRSLLMCQHL
ERVLDIADKYGFHCQMWSDMFFPEETRVYLDRLKDRVTLVYWDYYQDSEE
KYNRNFRNHHKISHDLAFAGGAWKWIGFTPHNHFSRLVAIEANKACRANQ
IKEVIVTGWGDNGGETAQFSILPSLQIWAELSYRNDLDGLSAHFKTNTGL
TVEDFMQIDLANLLPDLPGNLSGINPNRYVFYQDILCPILDQHMTPEQDK
PHFAQAAETLANIKEKAGNYAYLFETQAQLNAILSSKVDVGRRIRQAYQA
DDKESLQQIARQELPELRSQIEDFHALFSHQWLKENKVFGLDTVDIRMGG
LLQRIKRAESRIEVYLAGQLDRIDELEVEILPFTDFYADKDFAATTANQW
HTIATASTIYTT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5a6b Chain A Residue 1628 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a6b A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		S38 R53
Binding residue
(residue number reindexed from 1)		S39 R54
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0015929 hexosaminidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5a6b, PDBe:5a6b, PDBj:5a6b
PDBsum5a6b
PubMed26491009
UniProtA0A0H2US73

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