Structure of PDB 3qsp Chain A Binding Site BS01

Receptor Information
>3qsp Chain A (length=426) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVYSKEIVREWLDEVAERAKDYPEWVDVFERCYTDTLDNTVEILEDGSTF
VLTGDIPAMWLRDSTAQLRPYLHVAKRDALLRQTIAGLVKRQMTLVLKDP
YANSFNIEENWKGHHETDHTDLNGWIWERKYEVDSLCYPLQLAYLLWKET
GETSQFDEIFVAATKEILHLWTVEQDHKNSPYRFVRDTDRKEDTLVNDGF
GPDFAVTGMTWSAFRPSDDCCQYSYLIPSNMFAVVVLGYVQEIFAALNLA
DSQSVIADAKRLQDEIQEGIKNYAYTTNSKGEKIYAFEVDGLGNASIMDD
PNVPSLLAAPYLGYCSVDDEVYQATRRTILSSENPYFYQGEYASGLGSSH
TFYRYIWPIALSIQGLTTRDKAEKKFLLDQLVACDGGTGVMHESFHVDDP
TLYSREWFSWANMMFCELVLDYLDIR
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3qsp Chain C Residue 2 [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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PDB3qsp Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E128 K130 D193 D218 H350
Binding residue
(residue number reindexed from 1)		E128 K130 D193 D218 H350
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3qsp, PDBe:3qsp, PDBj:3qsp
PDBsum3qsp
PubMed21388958
UniProtA0A0H2URZ6

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