Structure of PDB 5idb Chain B Binding Site BS02

Receptor Information
>5idb Chain B (length=142) Species: 29159 (Magallana gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEWVSTTGNTIPDNAIRAGYDINKKALFIARAVVSGEMTPGKCGTHLEGA
HIPFAGKEHIIQNYEVLVYPINALGFLDWQQASNGDVPGNAIDTASGIYI
GRVLYSGSLIPCKIHTGFKVAYMGFAGKEHQSKEYEALYKVI
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 chain5idb Chain B Residue 1002 [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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PDB5idb Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		D22 K43 E59 F126 A127
Binding residue
(residue number reindexed from 1)		D21 K42 E58 F125 A126
Annotation score4
Binding affinityMOAD: Ka=2000M^-1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5idb, PDBe:5idb, PDBj:5idb
PDBsum5idb
PubMed27377186
UniProtK1QRB6

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