Receptor
PDB id Resolution Class Description Source Keywords
3VSS 1.97 Å EC: 3.2.1.26 MICROBACTERIUM SACCHAROPHILUM K-1 BETA-FRUCTOFURANOSIDASE CA DOMAIN COMPLEXED WITH FRUCTOSE ARTHROBACTER GLYCOSIDE HYDROLASE FAMILY 68 BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A LACTOSUCROSE-PRODUCING ENZYM ARTHROBACTER SP. K-1 BETA-FRUCTOFURANOSIDASE ENZYME.MICROB.TECHNOL. V. 51 359 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU A:601;
A:602;
A:603;
A:604;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VSS 1.97 Å EC: 3.2.1.26 MICROBACTERIUM SACCHAROPHILUM K-1 BETA-FRUCTOFURANOSIDASE CA DOMAIN COMPLEXED WITH FRUCTOSE ARTHROBACTER GLYCOSIDE HYDROLASE FAMILY 68 BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A LACTOSUCROSE-PRODUCING ENZYM ARTHROBACTER SP. K-1 BETA-FRUCTOFURANOSIDASE ENZYME.MICROB.TECHNOL. V. 51 359 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3VSS - 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 7 families.
1 3VSS - 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 6 families.
1 3VSS - 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 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found: 23
This union binding pocket(no: 1) in the query (biounit: 3vss.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XMY ROL 0.003783 0.40597 1.25628
2 5AYE BMA BMA 0.003706 0.43525 1.49254
3 4CPZ ZMR 0.003833 0.43843 1.71674
4 1Y9G FRU 0.000004756 0.54986 2.01613
5 5C5H 4YB 0.03445 0.40437 2.20751
6 5GLN XYS 0.00009351 0.40067 2.61628
7 2EXK XYS XYS 0.0008033 0.41492 2.62097
8 4X6K 3XR 0.01609 0.40719 3.08642
9 3AKI AH8 0.001671 0.40425 3.20513
10 4YZ5 DAN 0.014 0.40922 3.22581
11 2ADD SUC 0.000005046 0.54832 3.42742
12 4RM0 FUC NAG GAL 0.007418 0.41711 3.48101
13 5JOX EDG 0.0003438 0.4532 3.62903
14 3LIH RAF 0.0001631 0.41941 3.62903
15 5HV0 AKG 0.01741 0.40499 3.68664
16 5BYZ 4WE 0.03744 0.40558 4.02299
17 1LW4 TLP 0.02233 0.40502 4.03458
18 4AK7 47N 0.002067 0.41179 4.70297
19 5U83 ZN8 0.006382 0.40599 4.71698
20 1KJ1 MAN 0.003191 0.40415 5.50459
21 4N2R FUB 0.0041 0.41607 7.48503
22 2YFT DQR 0.0000000001022 0.63922 32.2581
23 1PT2 SUC 0.0000000001339 0.67604 40.7159
Pocket No.: 2; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3vss.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3vss.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3vss.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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