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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 8 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 8 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 8 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 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 : 3VSS; Ligand: FRU; Similar sites found with APoc: 68
This union binding pocket(no: 1) in the query (biounit: 3vss.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1XMY ROL 1.25628
2 5OPJ AHR 1.41129
3 5AYE BMA BMA 1.49254
4 4CPZ ZMR 1.71674
5 2ZXI FAD 1.72684
6 3TIC ZMR 1.91898
7 3K37 BCZ 2.01511
8 1Y9G FRU 2.01613
9 5XHA FRU FRU 2.01613
10 1MS9 LAT 2.01613
11 5WUW NAP 2.09059
12 5OCS FMN 2.15633
13 5C5H 4YB 2.20751
14 6CUZ FEV 2.31959
15 1YNH SUO 2.40175
16 5GLN XYS 2.61628
17 5GLN XYP XYP XYP 2.61628
18 2EXK XYS XYS 2.62097
19 5SVV FMN 2.91971
20 4X6K 3XR 3.08642
21 6A8H AHR AHR AHR 3.11526
22 3AKI AH8 3.20513
23 1ZK7 FAD 3.21199
24 4YZ5 DAN 3.22581
25 1Z41 FMN 3.25444
26 1M5W DXP 3.29218
27 2ADD SUC 3.42742
28 4O8O AHR 3.42742
29 4RM0 FUC NAG GAL 3.48101
30 2A2C ADP 3.55649
31 2A2C NG1 3.55649
32 4KS1 2H8 3.58974
33 4HZX G39 3.60825
34 3LIH RAF 3.62903
35 5JOX EDG 3.62903
36 5HV0 AKG 3.68664
37 6F1J EDG 3.69231
38 6AP6 TLF 3.71747
39 4QN7 G39 3.84615
40 5ZQS BXP 4.03226
41 1LW4 TLP 4.03458
42 4K26 NDP 4.34783
43 4B7J G39 4.47761
44 4AK7 47N 4.70297
45 5U83 ZN8 4.71698
46 2SIM DAN 4.72441
47 5M1Z 6LW AHR 4.90463
48 4RP9 ASC 4.94624
49 3WN0 FUB 5.04032
50 3TI8 LNV 5.06329
51 3A72 AHR AHR 5.35211
52 4WGF HX2 5.36585
53 4QN6 LNV 5.37084
54 3HF3 FMN 5.44413
55 1KJ1 MAN 5.50459
56 5TA6 79D 5.58659
57 3P7N FMN 5.81395
58 5YSE BGC BGC BGC GLC 6.29723
59 2VW1 DAN 6.65323
60 4WUJ FMN 6.80272
61 4N2R FUB 7.48503
62 6AM8 PLT 7.57576
63 5Z5I FUB 10.4839
64 5Z5I XYS 10.4839
65 1NPD NAD 11.8056
66 5EW0 3C7 12.8205
67 2YFT DQR 32.2581
68 1PT2 SUC 40.7159
Pocket No.: 2; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 3vss.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 6CS9 PIO None
2 2C0U FAD NBT 1.36674
3 1QXO FMN 1.80412
4 4DQ2 BTX 2.13415
5 3ETH ATP 2.25352
6 1RV0 DAN 2.5
7 1RM4 NDP 2.67062
8 3EWP APR 2.82486
9 1OFD FMN 3.02419
10 2FXV 5GP 3.09278
11 1CBF SAH 3.15789
12 4O6M C5P 3.22581
13 2ZW5 COA 3.32226
14 5N5S NAP 3.62903
15 2JJK R15 3.84615
16 4JEM C5P 4.11765
17 3QFA FAD 4.31034
18 1BO4 COA 5.35714
19 4AG9 COA 5.45455
20 3RZ3 U94 5.46448
21 1S7N COA 5.49451
22 5ZCT ANP 5.55556
23 2IXE ATP 5.90406
24 6FP4 E1T 7.66129
25 3QV1 NAD 8.53659
26 5CB3 APR 8.74317
27 4EHQ GBL 10.1351
28 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 10.9375
29 1O44 852 22.2222
30 2PEZ DAT 31.8436
Pocket No.: 3; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 3vss.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 5M67 3D1 1.87891
2 5M67 NAD 1.87891
3 5M67 ADE 1.87891
4 3OND ADN 2.45902
5 3OND NAD 2.45902
6 4XCP PLM 3.52941
7 4XZ3 ACP 3.91304
8 5L4L 7OX 3.94737
9 4YDD MGD 4.23387
10 4YDD MD1 4.23387
11 2QB8 ATP 6.29723
12 4ZSI GLP 7.60234
Pocket No.: 4; Query (leader) PDB : 3VSS; Ligand: FRU; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 3vss.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 4IPE ANP 1.41129
2 5V1B 8UY 2.08333
3 2JAP NDP 2.42915
4 2JAH NDP 2.42915
5 4CQE CQE 3.95683
6 4CQM NAP 4.09836
7 1U08 PLP 4.14508
8 5GUD NDP 4.24628
9 5GUD 2IT 4.24628
10 6CI9 NAP 4.2471
11 1VJY 460 4.9505
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