Structure of PDB 2yl8 Chain A Binding Site BS02

Receptor Information
>2yl8 Chain A (length=434) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEKLAKKKIVSIDAGRKYFSPEQLKEIIDKAKHYGYTDLHLLVGNDGLRF
MLDDMSITANGKTYASDDVKRAIEKGTNDYYNDPNGNHLTESQMTDLINY
AKDKGIGLIPTVNSPGHMDAILNAMKELGIQNPNFSYFGKKSARTVDLDN
EQAVAFTKALIDKYAAYFAKKTEIFNIGLDQYANDATDAKGWSVLQADKY
YPNEGYPVKGYEKFIAYANDLARIVKSHGLKPMAFNDGIYYNSDTSFGSF
DKDIIVSMWTGGWGGYDVASSKLLAEKGHQILNTNDAWYYVLGRNADGQG
WYNLDQGLNGIKNTPITSVPKTEGADIPIIGGMVAAWADTPSARYSPSRL
FKLMRHFANANAEYFAADYESAEQALNEVPKDLNRYTAESVTAVKEAEKA
IRSLDSNLSRAQQDTIDQAIAKLQETVNNLTLTP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2yl8 Chain A Residue 1616 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2yl8 Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D477 D485
Binding residue
(residue number reindexed from 1)		D297 D305
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2yl8, PDBe:2yl8, PDBj:2yl8
PDBsum2yl8
PubMed22078560
UniProtP49610|STRH_STRPN Beta-N-acetylhexosaminidase (Gene Name=strH)

[Back to BioLiP]