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Receptor
PDB id Resolution Class Description Source Keywords
2YFT 1.85 Å EC: 2.4.1.9 CRYSTAL STRUCTURE OF INULOSUCRASE FROM LACTOBACILLUS JOHNSON NCC533 IN COMPLEX WITH 1-KESTOSE LACTOBACILLUS JOHNSONII TRANSFERASE FRUCTOSYLTRANSFERASE GLYCOSIDE HYDROLASE FAMIL
Ref.: CRYSTAL STRUCTURE OF INULOSUCRASE FROM LACTOBACILLU INSIGHTS INTO THE SUBSTRATE SPECIFICITY AND PRODUCT SPECIFICITY OF GH68 FRUCTANSUCRASES. J.MOL.BIOL. V. 412 80 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1700;
A:1701;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:1696;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DQR A:1695;
Valid;
none;
submit data
504.437 C18 H32 O16 C([C@...
SO4 A:1697;
A:1698;
A:1699;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YFT 1.85 Å EC: 2.4.1.9 CRYSTAL STRUCTURE OF INULOSUCRASE FROM LACTOBACILLUS JOHNSON NCC533 IN COMPLEX WITH 1-KESTOSE LACTOBACILLUS JOHNSONII TRANSFERASE FRUCTOSYLTRANSFERASE GLYCOSIDE HYDROLASE FAMIL
Ref.: CRYSTAL STRUCTURE OF INULOSUCRASE FROM LACTOBACILLU INSIGHTS INTO THE SUBSTRATE SPECIFICITY AND PRODUCT SPECIFICITY OF GH68 FRUCTANSUCRASES. J.MOL.BIOL. V. 412 80 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YFT - DQR C18 H32 O16 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 1 families.
1 2YFT - DQR C18 H32 O16 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 1 families.
1 2YFT - DQR C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DQR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DQR 1 1
2 NYT 0.912281 1
3 FNY 0.912281 1
4 SUC 0.666667 0.972973
5 SWE 0.666667 0.972973
6 RAF 0.521127 0.947368
7 SUP 0.514286 0.782609
8 STW 0.513889 0.947368
9 SUC GLA 0.425 0.897436
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YFT; Ligand: DQR; Similar sites found with APoc: 66
This union binding pocket(no: 1) in the query (biounit: 2yft.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3DM0 GLC GLC 1.40105
2 5ZQS BXP 1.47874
3 5TKL G3H 1.92837
4 4IRX INS 2.02703
5 5B2D SLT 2.04499
6 3WN0 FUB 2.05479
7 5XHA FRU FRU 2.10158
8 1Y9G FRU 2.12355
9 2ADD SUC 2.20994
10 4AK7 47N 2.22772
11 5JOX EDG 2.32558
12 3A16 PXO 2.41287
13 1G0C CBI 2.47253
14 4MZU TYD 2.5641
15 4UDK BMA 2.59366
16 5AYE BMA BMA 2.68657
17 3KF3 FRU 2.75049
18 5Z5I XYS 2.76243
19 5Z5I FUB 2.76243
20 5AZA MAL 2.8021
21 3E9I XAH 2.83976
22 1OIJ AKG 2.99003
23 1C7O PPG 3.00752
24 3AKI AH8 3.20513
25 4CPZ ZMR 3.21888
26 4GNC ASO 3.34448
27 5IQZ MAL 3.61174
28 3K37 BCZ 3.77834
29 5FMD NYT 3.85289
30 2DW7 SRT 3.85604
31 2PCU PHE ASN ARG PRO VAL 3.93443
32 3LIH RAF 3.94322
33 4U6D 3DY 4.10628
34 3UH0 TSB 4.13043
35 1USR DAN 4.18502
36 5MUJ RAM ARA RAM 8OQ RAM GAL XXM 8PK 4.46194
37 2YA8 G39 4.46247
38 5J32 IPM 4.4665
39 3PIJ FRU 4.56274
40 1O75 PDX PDX 4.81928
41 2OX9 GAL NAG FUC 5
42 2EXK XYS XYS 5.42056
43 1HQS CIT 5.91017
44 6DWI HD4 6.17284
45 5KV9 I57 6.39269
46 2PP3 LGT 6.53266
47 6F1J EDG 6.83012
48 4N2R FUB 6.88623
49 4N2R AHR 6.88623
50 6A8H AHR AHR AHR 7.16511
51 4O8O AHR 7.29167
52 5ML3 DL3 7.38255
53 5GLN XYP XYP XYP 8.13953
54 5GLN XYS 8.13953
55 5N0L ILE 8.1761
56 1W2T SUC GLA 8.33333
57 1YTV MAL 8.33333
58 3A72 AHR AHR 8.4507
59 6BR8 PGV 8.73016
60 2PA7 TYD 9.92908
61 2QL9 CIT 12.3711
62 1Z5U CMP 13.0841
63 1DZT ATY 13.1148
64 4XR8 MAL 13.245
65 5M1Z 6LW AHR 14.4414
66 3VSS FRU 32.2581
Pocket No.: 2; Query (leader) PDB : 2YFT; Ligand: DQR; 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: 2yft.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YFT; Ligand: DQR; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 2yft.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6AMI TRP 1.26263
2 4A38 BZS 2.57732
3 3P7G MAN 6.16438
4 3WIR BGC 7.35552
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