Receptor
PDB id Resolution Class Description Source Keywords
4U6D 1.7 Å NON-ENZYME: OTHER ZG3615, A FAMILY 117 GLYCOSIDE HYDROLASE IN COMPLEX WITH BET ANHYDRO-L-GALACTOSE ZOBELLIA GALACTANIVORANS GH117 HYDROLASE BICYCLIC SUGAR
Ref.: BIOCHEMICAL AND STRUCTURAL INVESTIGATION OF TWO PAR GLYCOSIDE HYDROLASES FROM ZOBELLIA GALACTANIVORANS: INSIGHTS INTO THE EVOLUTION, DIMERIZATION PLASTICIT CATALYTIC MECHANISM OF THE GH117 FAMILY. ACTA CRYSTALLOGR.,SECT.D V. 71 209 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:516;
A:518;
A:509;
B:505;
A:507;
A:514;
A:519;
A:517;
A:505;
B:504;
A:504;
A:513;
A:510;
A:520;
B:507;
A:515;
B:503;
A:511;
A:506;
A:508;
B:506;
A:512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
3DY A:521;
Valid;
none;
submit data
162.141 C6 H10 O5 C1[C@...
CA A:502;
B:502;
B:501;
A:501;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PEG A:503;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U6D 1.7 Å NON-ENZYME: OTHER ZG3615, A FAMILY 117 GLYCOSIDE HYDROLASE IN COMPLEX WITH BET ANHYDRO-L-GALACTOSE ZOBELLIA GALACTANIVORANS GH117 HYDROLASE BICYCLIC SUGAR
Ref.: BIOCHEMICAL AND STRUCTURAL INVESTIGATION OF TWO PAR GLYCOSIDE HYDROLASES FROM ZOBELLIA GALACTANIVORANS: INSIGHTS INTO THE EVOLUTION, DIMERIZATION PLASTICIT CATALYTIC MECHANISM OF THE GH117 FAMILY. ACTA CRYSTALLOGR.,SECT.D V. 71 209 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3DY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3DY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U6D; Ligand: 3DY; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 4u6d.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4X6K 3XR 0.001212 0.40486 2.17391
2 4N2R FUB 0.00006869 0.51428 2.39521
3 4N2R AHR 0.0009652 0.44179 2.39521
4 4SLI CNP 0.000495 0.48252 2.41546
5 4YZ5 DAN 0.0001131 0.43661 2.41546
6 3KF3 FRU 0.007994 0.43716 2.657
7 1VB9 GLC GLC GLC GLC GLC GLC 0.014 0.41534 3.1401
8 5SYM 71Q 0.02279 0.40189 3.91304
9 3WN0 FUB 0.0000802 0.41757 4.83092
10 2VW1 DAN 0.0003252 0.49865 5.55556
11 4O8O AHR 0.0004004 0.41617 11.4583
12 4AK7 47N 0.000000005607 0.63289 45.7921
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