Structure of PDB 6fx1 Chain B Binding Site BS01

Receptor Information
>6fx1 Chain B (length=42) Species: 75321 (Pholiota squarrosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMAPVPVTKLVCDGDTYKCTAYLDFGDGRWVAQWDTNVFHTG
Ligand information
Ligand IDC4W
InChIInChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyCCZCDCDASZJFGK-FMDGEEDCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-]
OpenEye OEToolkits 2.0.6CC(=O)NC1C(C(C(OC1N=[N+]=[N-])CO)O)O
OpenEye OEToolkits 2.0.6CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]
FormulaC8 H14 N4 O5
Name1-azido-beta-N-acetyl-D-glucosamine
ChEMBL
DrugBank
ZINCZINC000005234415
PDB chain6fx1 Chain M Residue 1 [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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PDB6fx1 Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F23 W28
Binding residue
(residue number reindexed from 1)		F25 W30
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.98,Kd=105uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6fx1, PDBe:6fx1, PDBj:6fx1
PDBsum6fx1
PubMed29956878
UniProtA0A3B6UEU4

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