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 R THERMOTOGA MARITIMA HYDROLASE GLYCOSIDASE INVERTASE RAFFINOSE BETA FRUCTOSID
Ref.: CRYSTAL STRUCTURE OF INACTIVATED THERMOTOGA MARITIM INVERTASE IN COMPLEX WITH THE TRISACCHARIDE SUBSTRA 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...
GLC FRU GLA J:1;
L:1;
I:1;
K:1;
G:1;
H:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
502.422 n/a O=CC1...
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 R THERMOTOGA MARITIMA HYDROLASE GLYCOSIDASE INVERTASE RAFFINOSE BETA FRUCTOSID
Ref.: CRYSTAL STRUCTURE OF INACTIVATED THERMOTOGA MARITIM INVERTASE IN COMPLEX WITH THE TRISACCHARIDE SUBSTRA 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 9 families.
1 1W2T - GLC FRU 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 9 families.
1 1W2T - GLC FRU 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 8 families.
1 1W2T - GLC FRU GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC FRU GLA; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU GLA 1 1
2 GLC FRU 0.761905 0.972973
3 FRU GLC GLA 0.710145 0.947368
4 GLC FRU GLA GLA GLA 0.7 0.947368
5 GLC FRU GLA GLA 0.7 0.947368
6 MMA MAN 0.485714 0.846154
7 BGC GLC GLC GLC GLC 0.478873 0.891892
8 BGC GLC GLC GLC GLC GLC 0.478873 0.891892
9 Z9N GLC 0.472973 0.897436
10 GLC FRU FRU 0.455696 0.897436
11 BGC GLC GLC 0.4375 0.891892
12 Z4R MAN MAN 0.422222 0.809524
13 GLC GLC GLC GLC GLC 0.416667 0.891892
14 BGC GLC GLC GLC 0.416667 0.891892
15 GLC GLC GLC 0.404762 0.846154
16 AHR AHR AHR AHR AHR AHR 0.402778 0.864865
17 AHR AHR AHR AHR AHR 0.402778 0.864865
18 AHR AHR AHR AHR 0.402778 0.864865
19 GLC FRU FRU FRU 0.4 0.897436
20 AHR AHR 0.4 0.864865
21 ZEE UEA FRU FRU FRU 0.4 0.897436
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC FRU GLA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W2T; Ligand: GLC FRU GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1w2t.bio6) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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