Structure of PDB 5fui Chain A Binding Site BS01

Receptor Information
>5fui Chain A (length=124) Species: 63186 (Zobellia galactanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTLKIEAESYLYSNDVQKEPCSEGGENVGYINNGSWMSYPGINFPSSGNY
LIEYRVASAVDGGRFSSDLEAGETVLGELSVPNTGGWQNWTTVSQTVNVS
AGTYQFGLYSISGGWNINWIRITK
Ligand information
Ligand IDAPY
InChIInChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
InChIKeyWOXFMYVTSLAQMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccnc(c1)CN
ACDLabs 10.04n1ccccc1CN
CACTVS 3.341NCc1ccccn1
FormulaC6 H8 N2
Name2-AMINOMETHYL-PYRIDINE
ChEMBLCHEMBL32189
DrugBank
ZINCZINC000000011050
PDB chain5fui Chain A Residue 132 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fui Unraveling the Multivalent Binding of a Marine Family 6 Carbohydrate-Binding Module with its Native Laminarin Ligand.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		W297 D329 Y370
Binding residue
(residue number reindexed from 1)		W36 D68 Y109
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:5fui, PDBe:5fui, PDBj:5fui
PDBsum5fui
PubMed26959085
UniProtG0L2L9

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