Receptor
PDB id Resolution Class Description Source Keywords
1W2T 1.87 Å EC: 3.2.1.26 BETA-FRUCTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH RAFFINOSE THERMOTOGA MARITIMA HYDROLASE GLYCOSIDASE INVERTASE RAFFINOSE BETA FRUCTOSIDASE
Ref.: CRYSTAL STRUCTURE OF INACTIVATED THERMOTOGA MARITIMA INVERTASE IN COMPLEX WITH THE TRISACCHARIDE SUBSTRATE RAFFINOSE. BIOCHEM.J. V. 395 457 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:1433;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
SO4 B:1433;
C:1433;
C:1434;
E:1433;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
SUC GLA A:1434;
B:1434;
C:1435;
D:1433;
E:1434;
F:1433;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
502.422 n/a O(C1(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W2T 1.87 Å EC: 3.2.1.26 BETA-FRUCTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH RAFFINOSE THERMOTOGA MARITIMA HYDROLASE GLYCOSIDASE INVERTASE RAFFINOSE BETA FRUCTOSIDASE
Ref.: CRYSTAL STRUCTURE OF INACTIVATED THERMOTOGA MARITIMA INVERTASE IN COMPLEX WITH THE TRISACCHARIDE SUBSTRATE RAFFINOSE. BIOCHEM.J. V. 395 457 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1W2T - SUC GLA 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 7 families.
1 1W2T - SUC GLA 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 6 families.
1 1W2T - SUC GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SUC GLA; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 SUC GLA 1 1
2 FRU GLC GLA 0.710145 0.947368
3 RAF 0.710145 0.947368
4 SWE 0.5 0.921053
5 SUC 0.5 0.921053
6 GLC FRU 0.5 0.921053
7 SUP 0.487179 0.744681
8 MAN MMA 0.485714 0.846154
9 MAN MAN MAN 0.478873 0.891892
10 GLC GLC GLC GLC BGC 0.478873 0.891892
11 GLC GLC GLC GLC GLC BGC 0.478873 0.891892
12 GLC GLC GLC 0.478873 0.891892
13 MAN BMA 0.471429 0.891892
14 MLB 0.471429 0.891892
15 GLA GLC 0.471429 0.891892
16 BMA GLA 0.471429 0.891892
17 GLA BGC 0.471429 0.891892
18 GLA BMA 0.471429 0.891892
19 BGC GLA 0.471429 0.891892
20 LAK 0.471429 0.891892
21 GAL GAL 0.471429 0.891892
22 GLC FRU FRU 0.455696 0.897436
23 DQR 0.425 0.897436
24 GLC GLC GLC GLC 0.419753 0.891892
25 GLC GLC GLC BGC 0.416667 0.891892
26 20S 0.408602 0.782609
27 AHR AHR AHR 0.402778 0.864865
28 FUB AHR AHR 0.402778 0.864865
29 NYT 0.4 0.897436
30 FUB AHR 0.4 0.864865
31 AHR AHR 0.4 0.864865
32 FNY 0.4 0.897436
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W2T; Ligand: SUC GLA; Similar sites found: 22
This union binding pocket(no: 1) in the query (biounit: 1w2t.bio6) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M1Z 6LW AHR 0.00574 0.41717 1.63488
2 4AK7 47N 0.001513 0.44218 2.72277
3 3AKI AH8 0.004028 0.42 3.47222
4 1EKO I84 0.02058 0.42058 3.49206
5 1EKO NAP 0.01981 0.42058 3.49206
6 4D4U FUC GAL NAG 0.0159 0.40501 3.49206
7 1WCQ DAN 0.01326 0.40651 4.39815
8 5GLN XYS 0.0004179 0.40257 4.65116
9 3P7I P7I 0.01165 0.40931 4.98442
10 2EXK XYS XYS 0.004886 0.41612 5.55556
11 5JOX EDG 0.0001557 0.4952 6.25
12 4OWK NGA 0.01941 0.40095 6.52174
13 3TTY GLA 0.008606 0.41111 7.17593
14 2YFT DQR 0.000001287 0.58457 8.33333
15 1PT2 SUC 0.000002999 0.56089 9.02778
16 3A72 AHR AHR 0.006082 0.41391 9.57747
17 3LIH RAF 0.00002731 0.52837 11.1111
18 4N2R FUB 0.001602 0.42226 14.3713
19 5XHA FRU FRU 0.000003938 0.59267 30.5556
20 3PMA SCR 0.02837 0.40154 31.0345
21 3D5Z FUB AHR AHR 0.01247 0.40324 32.8025
22 2ADD SUC 0.0000000008252 0.76364 39.1204
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