Structure of PDB 5ida Chain A Binding Site BS01

Receptor Information
>5ida Chain A (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 IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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
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
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain5ida Chain A Residue 201 [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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PDB5ida Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Resolution1.1 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:5ida, PDBe:5ida, PDBj:5ida
PDBsum5ida
PubMed27377186
UniProtK1QRB6

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