Receptor
PDB id Resolution Class Description Source Keywords
3PIJ 1.8 Å EC: 3.2.1.26 BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM - COMPLE FRUCTOSE BIFIDOBACTERIUM LONGUM FIVE-BLADED BETA-PROPELLER AND BETA-SANDWICH DOMAINS GLYCOSHYDROLASE FAMILY 32 PROBIOTIC BACTERIA FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE APO FORM OF BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM COMPLEX WITH FRUCTOSE FEBS J. V. 278 1728 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:528;
A:529;
B:528;
B:529;
B:530;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FRU A:527;
B:527;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PIJ 1.8 Å EC: 3.2.1.26 BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM - COMPLE FRUCTOSE BIFIDOBACTERIUM LONGUM FIVE-BLADED BETA-PROPELLER AND BETA-SANDWICH DOMAINS GLYCOSHYDROLASE FAMILY 32 PROBIOTIC BACTERIA FRUCTOSE HYDROLAS
Ref.: CRYSTAL STRUCTURES OF THE APO FORM OF BETA-FRUCTOFURANOSIDASE FROM BIFIDOBACTERIUM LONGUM COMPLEX WITH FRUCTOSE FEBS J. V. 278 1728 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3PIJ - 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 3PIJ - 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 3PIJ - 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 : 3PIJ; Ligand: FRU; Similar sites found: 41
This union binding pocket(no: 1) in the query (biounit: 3pij.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HZX G39 0.0156 0.40918 1.54639
2 4KS1 2H8 0.01445 0.41452 1.79487
3 5IXJ THR 0.02957 0.41099 2.0202
4 2GU8 796 0.04916 0.41725 2.07715
5 4IAE 1DX 0.006149 0.45231 2.1164
6 1LTH NAD 0.03502 0.40069 2.19436
7 5DV2 C5P 0.01751 0.41023 2.26131
8 4CPZ ZMR 0.01397 0.40757 2.36052
9 3A72 AHR AHR 0.002504 0.44724 2.53521
10 3KO8 NAD 0.04201 0.40498 2.5641
11 4KM2 ATR 0.02422 0.41443 2.7933
12 4KM2 TOP 0.02551 0.41443 2.7933
13 2E40 LGC 0.01233 0.40407 2.7957
14 5AYE BMA BMA 0.01152 0.4047 2.98507
15 3AKI AH8 0.004798 0.43082 3.4188
16 5HES 032 0.03103 0.40056 3.58306
17 2GLX NDP 0.02871 0.40525 3.91566
18 3GGF GVD 0.01042 0.41396 3.98671
19 2EXK XYS XYS 0.01084 0.41311 3.9924
20 5JOX EDG 0.000429 0.46027 4.06977
21 1ZB6 GST 0.0363 0.40501 4.23453
22 2YFT DQR 0.0000007203 0.62496 4.56274
23 4MWV BCZ 0.01712 0.40519 4.89691
24 4L9Z COA 0.01574 0.42688 5.01475
25 4QN6 LNV 0.0193 0.40255 5.6266
26 1PT2 SUC 0.000002714 0.58941 6.04027
27 4O8O AHR 0.006316 0.42704 6.08365
28 3W7T BMA 0.01621 0.41525 6.08365
29 4TSK NDP 0.02637 0.40992 6.28571
30 4N2R FUB 0.0003231 0.47729 6.58683
31 4N2R AHR 0.001507 0.42464 6.58683
32 3TIC ZMR 0.02135 0.40033 6.60981
33 5GLN XYS 0.0001943 0.40238 6.84411
34 4AK7 47N 0.001529 0.45046 6.93069
35 5K2M ADP 0.02324 0.40863 9.43396
36 5A7V MAN 0.006237 0.40763 10.4563
37 3LIH RAF 0.000001365 0.61719 13.4981
38 5XHA FRU FRU 0.0000001381 0.42734 35.1711
39 2ADD SUC 0.00000000004321 0.81014 38.9734
40 1Y9G FRU 0.00000000000512 0.85499 39.9614
41 3UTU 1TS 0.0265 0.41694 44.4444
Pocket No.: 2; Query (leader) PDB : 3PIJ; 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: 3pij.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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