Receptor
PDB id Resolution Class Description Source Keywords
2INV 1.8 Å EC: 4.2.2.18 CRYSTAL STRUCTURE OF INSULIN FRUCTOTRANSFERASE IN THE PRESEN FRUCTOSE BACILLUS SP. SNU-7 RIGHT-HANDED PARALLEL BETA-HELIX PROTEIN-CARBOHYDRATE COMPL
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO INTRAMOLECU FRUCTOSYL TRANSFER BY INSULIN FRUCTOTRANSFERASE J.BIOL.CHEM. V. 282 8414 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2PO A:1002;
B:1001;
Invalid;
Invalid;
none;
none;
submit data
79.98 H O3 P [O-]P...
FRU FRU A:1;
B:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
342.297 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2INV 1.8 Å EC: 4.2.2.18 CRYSTAL STRUCTURE OF INSULIN FRUCTOTRANSFERASE IN THE PRESEN FRUCTOSE BACILLUS SP. SNU-7 RIGHT-HANDED PARALLEL BETA-HELIX PROTEIN-CARBOHYDRATE COMPL
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO INTRAMOLECU FRUCTOSYL TRANSFER BY INSULIN FRUCTOTRANSFERASE J.BIOL.CHEM. V. 282 8414 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2INV - FRU FRU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2INV - FRU FRU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2INV - FRU FRU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRU FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 0.555556 1
3 0UB 0.526316 1
4 F1X 0.480769 0.755556
5 SF9 0.466667 0.888889
6 PSV 0.466667 0.888889
7 FRU 0.466667 0.888889
8 SF6 0.466667 0.888889
9 LFR 0.466667 0.888889
10 DQR 0.453125 0.921053
11 FNY 0.42029 0.921053
12 NYT 0.42029 0.921053
13 GLC FRU FRU 0.402985 0.921053
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2INV; Ligand: FRU FRU; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 2inv.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GXU FMN 0.02455 0.40306 1.70732
2 2IGA XX3 0.01157 0.41706 1.91781
3 1VJ7 GDP 0.005375 0.40914 2.03562
4 4JBI NDP 0.0238 0.41277 3.24324
5 3POT COM 0.04359 0.40731 6.0241
6 3POT TXZ 0.04359 0.40731 6.0241
7 3POT TP7 0.04937 0.40421 6.0241
8 1XPM CAA 0.04198 0.40068 6.06061
9 5A8R TP7 0.03421 0.41121 6.58537
10 5EXE 5SR 0.04511 0.40228 8.59873
11 2GTE VA 0.01179 0.4264 8.87097
12 5L0S UDP 0.02337 0.40591 9.52381
13 4GQB 0XU 0.03477 0.40222 15.9884
14 5L0U 660 0.02156 0.41576 21.4286
Pocket No.: 2; Query (leader) PDB : 2INV; Ligand: FRU FRU; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 2inv.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GQG DCD 0.01481 0.41824 3.71429
2 1DQX BMP 0.02649 0.40621 8.61423
3 1JL0 PUT 0.01571 0.40217 11.6766
Pocket No.: 3; Query (leader) PDB : 2INV; Ligand: FRU FRU; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 2inv.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RJ5 NAD 0.04955 0.40749 2.3622
2 5IKH 6BW 0.04757 0.40332 3.65854
3 5IQT AKG 0.03838 0.40042 11.4286
4 5IQT 6CU 0.03616 0.40042 11.4286
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