Receptor
PDB id Resolution Class Description Source Keywords
6myv 2.2 Å NON-ENZYME: OTHER SIALIDASE26 CO-CRYSTALLIZED WITH DANA-GC UNIDENTIFIED BACTERIUM SIALIDASE MICROBIOME NEU5GC SIALIC ACID INFLAMMATION NEDANA DANA-GC GC HYDROLASE
Ref.: GUT BACTERIA RESPONDING TO DIETARY CHANGE ENCODE SI THAT EXHIBIT PREFERENCE FOR RED MEAT-ASSOCIATED CARBOHYDRATES. NAT MICROBIOL V. 4 2082 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GC9 C:601;
D:601;
B:601;
A:601;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
307.254 C11 H17 N O9 C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MRV 1.8 Å NON-ENZYME: OTHER SIALIDASE26 CO-CRYSTALLIZED WITH DANA UNIDENTIFIED BACTERIUM SIALIDASE MICROBIOME NEU5AC SIALIC ACID INFLAMMATION NEDANA HYDROLASE
Ref.: GUT BACTERIA RESPONDING TO DIETARY CHANGE ENCODE SI THAT EXHIBIT PREFERENCE FOR RED MEAT-ASSOCIATED CARBOHYDRATES. NAT MICROBIOL V. 4 2082 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6MYV - GC9 C11 H17 N O9 C1=C(O[C@H....
2 6MRV - DAN C11 H17 N O8 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6MYV - GC9 C11 H17 N O9 C1=C(O[C@H....
2 6MRV - DAN C11 H17 N O8 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6MYV - GC9 C11 H17 N O9 C1=C(O[C@H....
2 6MRV - DAN C11 H17 N O8 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GC9; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 GC9 1 1
2 DAN 0.754386 0.933333
3 9AM 0.578125 0.854167
4 KFN 0.52459 0.688889
5 4AM 0.515152 0.854167
6 ZMR 0.486111 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: GC9; Similar ligands found: 19
No: Ligand Similarity coefficient
1 SLB 0.9229
2 AXP 0.9202
3 49A 0.9194
4 G28 0.9186
5 G39 0.9165
6 DF4 0.9109
7 NGE 0.9063
8 EQP 0.9051
9 E3M 0.9044
10 0HX 0.9038
11 SIA 0.9014
12 ST4 0.8932
13 2H8 0.8918
14 9GW 0.8918
15 ST5 0.8883
16 9GT 0.8824
17 9GN 0.8756
18 NIM 0.8709
19 FIR 0.8587
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MRV; Ligand: DAN; 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: 6mrv.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6MRV; Ligand: DAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6mrv.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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