Receptor
PDB id Resolution Class Description Source Keywords
4B1M 1.1 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE CBM66
Ref.: HOW NATURE CAN EXPLOIT NONSPECIFIC CATALYTIC AND CARBOHYDRATE BINDING MODULES TO CREATE ENZYMATIC SPECIFICITY PROC.NATL.ACAD.SCI.USA V. 109 20889 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU FRU A:1678;
B:1678;
C:1678;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
342.297 n/a O(CC1...
NA A:1680;
A:1681;
B:1680;
C:1680;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SO4 B:1681;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B1M 1.1 Å EC: 3.2.1.80 CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS BACILLUS SUBTILIS HYDROLASE CBM66
Ref.: HOW NATURE CAN EXPLOIT NONSPECIFIC CATALYTIC AND CARBOHYDRATE BINDING MODULES TO CREATE ENZYMATIC SPECIFICITY PROC.NATL.ACAD.SCI.USA V. 109 20889 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4B1M - FRU FRU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4B1L Kd ~ 10 mM FRU C6 H12 O6 C([C@@H]1[....
2 4B1M - FRU FRU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B1L Kd ~ 10 mM FRU C6 H12 O6 C([C@@H]1[....
2 4B1M - FRU FRU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 1 1
3 0UB 0.934783 1
4 FRU FRU FRU FRU 0.934783 1
5 SF9 0.511111 0.888889
6 PSV 0.511111 0.888889
7 FRU 0.511111 0.888889
8 SF6 0.511111 0.888889
9 LFR 0.511111 0.888889
10 TA6 0.490566 0.755556
11 F6P 0.490566 0.755556
12 GLC Z9N 0.428571 0.921053
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B1M; Ligand: FRU FRU; 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: 4b1m.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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