Receptor
PDB id Resolution Class Description Source Keywords
5FR0 1.75 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURA OF A FAMILY 123 GLYCOSIDE HYDROLASE FROM CLOSTRIDIUM PERFRI CLOSTRIDIUM PERFRINGENS HYDROLASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE-ASSISTED CATALYSIS.
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1586;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
SIZ A:1585;
 Valid;
 none;
 submit data
257.189 C8 H13 F2 N O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FR0 1.75 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURA OF A FAMILY 123 GLYCOSIDE HYDROLASE FROM CLOSTRIDIUM PERFRI CLOSTRIDIUM PERFRINGENS HYDROLASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE-ASSISTED CATALYSIS.
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - GAL NGA n/a n/a
4 5FQH - BGC GAL NGA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - GAL NGA n/a n/a
4 5FQH - BGC GAL NGA n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5L7U - NGA C8 H15 N O6 CC(=O)N[C@....
2 5L7V Kd = 9.6 nM GNL C8 H13 N O4 S CC1=N[C@@H....
3 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
4 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
5 5FQG - GAL NGA n/a n/a
6 5FQH - BGC GAL NGA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIZ; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SIZ 1 1
2 HSQ 0.630435 0.906977
3 NGA 0.630435 0.906977
4 NAG 0.630435 0.906977
5 NDG 0.630435 0.906977
6 BM3 0.630435 0.906977
7 A2G 0.630435 0.906977
8 BGN 0.576923 0.8125
9 YX1 0.537037 0.603175
10 9C1 0.527273 0.888889
11 STZ 0.527273 0.603175
12 BG8 0.491525 0.866667
13 4V5 0.453125 0.795918
14 4UZ 0.446154 0.77551
15 14T 0.428571 0.857143
16 MQG 0.425926 0.642857
Similar Ligands (3D)
Ligand no: 1; Ligand: SIZ; Similar ligands found: 48
No: Ligand Similarity coefficient
1 IFG 0.9133
2 BBK 0.9072
3 DJN 0.9057
4 MUR 0.9046
5 E9P 0.9043
6 4WF 0.9012
7 PYU 0.9002
8 Q9P 0.8973
9 3XR 0.8963
10 H4B 0.8956
11 GF1 0.8947
12 MJ5 0.8946
13 CH8 0.8930
14 HWD 0.8928
15 PLP 0.8921
16 BNX 0.8918
17 GDL 0.8901
18 FPL 0.8900
19 MW5 0.8896
20 X04 0.8875
21 GNL 0.8854
22 NSG 0.8854
23 MAG 0.8853
24 1BW 0.8851
25 CLU 0.8828
26 PXP 0.8827
27 SNG 0.8827
28 ZPF 0.8826
29 A6P 0.8823
30 BHS 0.8781
31 NHT 0.8780
32 BY5 0.8765
33 IPD 0.8757
34 GC3 0.8751
35 S3C 0.8726
36 BEU 0.8700
37 LTM 0.8690
38 QLI 0.8673
39 G6P 0.8667
40 CDG 0.8666
41 LOG 0.8663
42 8VR 0.8660
43 R52 0.8610
44 8MP 0.8606
45 3GV 0.8606
46 R5P 0.8587
47 54Z 0.8586
48 MP5 0.8563
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FR0; Ligand: SIZ; 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: 5fr0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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