Receptor
PDB id Resolution Class Description Source Keywords
3CYQ 2.3 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE COMPLEX OF THE C-TERMINAL DOMAI HELICOBACTER PYLORI MOTB (RESIDUES 125-256) WITH N-ACETYLMU HELICOBACTER PYLORI HELICOBACTER PYLORI BACTERIAL FLAGELLAR MOTOR PEPTIDOGLYCABINDING BACTERIAL FLAGELLUM CHEMOTAXIS FLAGELLAR ROTATIOMEMBRANE MEMBRANE TRANSMEMBRANE MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE CELL WALL ANCHOR DOMAIN OF STATOR COMPONENT OF THE BACTERIAL FLAGELLAR MOTOR: IMPLICATIONS FOR PEPTIDOGLYCAN RECOGNITION. PROC.NATL.ACAD.SCI.USA 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMU D:5;
K:2;
 Valid;
Valid;
 none;
none;
 submit data
293.27 C11 H19 N O8 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CYQ 2.3 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE COMPLEX OF THE C-TERMINAL DOMAI HELICOBACTER PYLORI MOTB (RESIDUES 125-256) WITH N-ACETYLMU HELICOBACTER PYLORI HELICOBACTER PYLORI BACTERIAL FLAGELLAR MOTOR PEPTIDOGLYCABINDING BACTERIAL FLAGELLUM CHEMOTAXIS FLAGELLAR ROTATIOMEMBRANE MEMBRANE TRANSMEMBRANE MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE CELL WALL ANCHOR DOMAIN OF STATOR COMPONENT OF THE BACTERIAL FLAGELLAR MOTOR: IMPLICATIONS FOR PEPTIDOGLYCAN RECOGNITION. PROC.NATL.ACAD.SCI.USA 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AMU; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 AMU 1 1
2 491 0.603175 0.759259
3 3LT 0.565789 0.843137
4 A2G GAL 0.539683 0.87234
5 DGN ALA NDG LAC 0.531646 0.826923
6 MUR 0.525424 0.863636
7 NAG FUC 0.523077 0.913043
8 NAG BDP 0.514706 0.875
9 AH0 0.507692 0.833333
10 A2G NAG 0.492537 0.895833
11 BM3 0.490909 0.930233
12 A2G 0.490909 0.930233
13 NGA 0.490909 0.930233
14 NDG 0.490909 0.930233
15 NAG 0.490909 0.930233
16 HSQ 0.490909 0.930233
17 NAG GC4 0.465753 0.875
18 AMU NAG 0.448718 0.86
19 NAG GAL FUC 0.447368 0.893617
20 AMU ALA GMA LYS NH2 0.4375 0.767857
21 NAG GAD 0.434211 0.84
22 SNG 0.42623 0.851064
23 ASG 0.415385 0.683333
24 NAG BDP NAG BDP 0.413043 0.811321
25 AMU ALA GMA LYS DAL DAL NH2 0.407767 0.767857
26 ALA FGA API DAL DAL MUB 0.407767 0.796296
27 NAG GAL 0.405797 0.87234
28 MUB ALA ZGL ALY DAL NH2 0.403846 0.741379
29 NAG FUC GAL 0.402597 0.893617
30 NAG GAL GLC NAG GLC RAM 0.4 0.895833
Similar Ligands (3D)
Ligand no: 1; Ligand: AMU; Similar ligands found: 12
No: Ligand Similarity coefficient
1 5M8 0.8931
2 G39 0.8922
3 2H8 0.8868
4 A3K 0.8831
5 9GW 0.8768
6 CB1 0.8692
7 GNJ 0.8682
8 3JA 0.8663
9 A3Q 0.8656
10 9GZ 0.8644
11 5O4 0.8640
12 IP2 0.8609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CYQ; Ligand: AMU; 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: 3cyq.bio10) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CYQ; Ligand: AMU; 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: 3cyq.bio8) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CYQ; Ligand: AMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3cyq.bio9) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CYQ; Ligand: AMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3cyq.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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