Receptor
PDB id Resolution Class Description Source Keywords
5fu4 2 Å NON-ENZYME: OTHER THE COMPLEXITY OF THE RUMINOCOCCUS FLAVEFACIENS CELLULOSOME AN EXPANSION IN GLYCAN RECOGNITION RUMINOCOCCUS FLAVEFACIENS CELLULOSOME CARBOHYDRATE BINDING MODULE RUMINOCCOCUS FLAVEENDOGLUCANASE CEL5A SUGAR BINDING PROTEIN
Ref.: COMPLEXITY OF THE RUMINOCOCCUS FLAVEFACIENS CELLULO REFLECTS AN EXPANSION IN GLYCAN RECOGNITION. PROC. NATL. ACAD. SCI. V. 113 7136 2016 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA BMA BMA C:1;
 Valid;
 none;
 submit data
n/a n/a
BMA BMA BMA BMA BMA D:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FU3 1.61 Å NON-ENZYME: OTHER THE COMPLEXITY OF THE RUMINOCOCCUS FLAVEFACIENS CELLULOSOME AN EXPANSION IN GLYCAN RECOGNITION RUMINOCOCCUS FLAVEFACIENS CELLULOSOME CARBOHYDRATE BINDING MODULE RUMINOCCOCUS FLAVEENDOGLUCANASE CEL5A SUGAR BINDING PROTEIN
Ref.: COMPLEXITY OF THE RUMINOCOCCUS FLAVEFACIENS CELLULO REFLECTS AN EXPANSION IN GLYCAN RECOGNITION. PROC.NATL.ACAD.SCI.USA V. 113 7136 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5FU3 Ka = 41000 M^-1 BGC BGC BGC n/a n/a
2 5FU2 Ka = 17000 M^-1 BMA BMA BMA BMA BMA n/a n/a
3 5FU4 - BMA BMA BMA BMA BMA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5FU3 Ka = 41000 M^-1 BGC BGC BGC n/a n/a
2 5FU2 Ka = 17000 M^-1 BMA BMA BMA BMA BMA n/a n/a
3 5FU4 - BMA BMA BMA BMA BMA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5FU3 Ka = 41000 M^-1 BGC BGC BGC n/a n/a
2 5FU2 Ka = 17000 M^-1 BMA BMA BMA BMA BMA n/a n/a
3 5FU4 - BMA BMA BMA BMA BMA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA BMA BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BMA BMA BMA BMA BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA BMA BMA; Similar ligands found: 15
No: Ligand Similarity coefficient
1 BMA BMA BMA 1.0000
2 MAN BMA BMA 0.9716
3 GCU MAV MAW 0.9466
4 BGC BGC BGC 0.9306
5 BGC OXZ BGC 0.9304
6 BMA BMA BGC 0.9252
7 G2I 0.9233
8 GLC BGC BGC 0.9188
9 GCS GCS GCS 0.9140
10 GTM BGC BGC 0.9006
11 GLC SHD Z6H 0.8986
12 GLC GLC GLC 0.8877
13 LGU MAV BEM 0.8850
14 SGC SGC BGC 0.8818
15 GS1 GLC GS1 0.8764
Ligand no: 2; Ligand: BMA BMA BMA BMA BMA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 BMA BMA BMA BMA BMA 1.0000
2 MAN BMA BMA BMA BMA 0.9641
3 BGC BGC BGC BGC BGC 0.8824
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FU3; Ligand: BGC BGC BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fu3.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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