Receptor
PDB id Resolution Class Description Source Keywords
3MPB 1.91 Å EC: 5.-.-.- Z5688 FROM E. COLI O157:H7 BOUND TO FRUCTOSE ESCHERICHIA COLI CUPIN BETA BARREL STRUCTURAL GENOMICS MONTREAL-KINGSTON BSTRUCTURAL GENOMICS INITIATIVE BSGI ISOMERASE
Ref.: STRUCTURE-BASED ANNOTATION OF A NOVEL SUGAR ISOMERA THE PATHOGENIC E. COLI O157:H7. J.MOL.BIOL. V. 401 866 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:228;
B:229;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
FRU A:229;
B:228;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GOL A:230;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1001;
B:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MPB 1.91 Å EC: 5.-.-.- Z5688 FROM E. COLI O157:H7 BOUND TO FRUCTOSE ESCHERICHIA COLI CUPIN BETA BARREL STRUCTURAL GENOMICS MONTREAL-KINGSTON BSTRUCTURAL GENOMICS INITIATIVE BSGI ISOMERASE
Ref.: STRUCTURE-BASED ANNOTATION OF A NOVEL SUGAR ISOMERA THE PATHOGENIC E. COLI O157:H7. J.MOL.BIOL. V. 401 866 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3MPB - FRU C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3MPB - FRU C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3MPB - FRU C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 SF9 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 FRU FRU 0.511111 0.888889
9 LBS 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MPB; Ligand: 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: 3mpb.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MPB; Ligand: FRU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3mpb.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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