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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 1443 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 1205 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 1039 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 with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 4u6d.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5YAP NAI 1.57895
2 5YAP 8S0 1.57895
3 3TIC ZMR 1.69082
4 6C7D EOJ 1.75439
5 4IY7 0JO 1.76322
6 4HZX G39 1.80412
7 5FMD NYT 1.93237
8 4X6K 3XR 2.17391
9 6ECG PM9 2.17391
10 4N2R FUB 2.39521
11 4N2R AHR 2.39521
12 4RVU NDP 2.40964
13 4YZ5 DAN 2.41546
14 4SLI CNP 2.41546
15 3KF3 FRU 2.657
16 5W19 9TD 2.89855
17 3TI8 LNV 3.03797
18 1VB9 GLC GLC GLC GLC GLC GLC 3.1401
19 6A3J SOE 3.41463
20 6A3J NAI 3.41463
21 3AFN NAP 3.48837
22 1CQ1 BGC 3.62319
23 5SYM 71Q 3.91304
24 2YFT DQR 4.10628
25 3WN0 FUB 4.83092
26 1MS9 LAT 5.07246
27 3WAS BGC BMA 5.12821
28 5SYN 71T 5.19481
29 2VW1 DAN 5.55556
30 6A8H AHR AHR AHR 6.54206
31 4QN7 G39 6.92308
32 1PT2 SUC 7.00483
33 2PWG CTS 7.24638
34 2DVX 23A 7.95107
35 1WCQ DAN 7.97101
36 5MUJ RAM ARA RAM 8OQ RAM GAL XXM 8PK 8.13648
37 5M1Z 6LW AHR 8.71935
38 1EUS DAN 9.0411
39 4O8O AHR 11.4583
40 1W2T SUC GLA 11.5942
41 2YA8 G39 13.285
42 1UJ2 ADP 13.4921
43 1UJ2 C5P 13.4921
44 4AK7 47N 45.7921
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