Receptor
PDB id Resolution Class Description Source Keywords
6C0B 2.5 Å NON-ENZYME: TOXIN_VIRAL STRUCTURAL BASIS FOR RECOGNITION OF FRIZZLED PROTEINS BY CLO DIFFICILE TOXIN B CLOSTRIDIOIDES DIFFICILE COMPLEX TOXIN
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF FRIZZLED PROTEI BYCLOSTRIDIUM DIFFICILETOXIN B. SCIENCE V. 360 664 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1902;
A:1903;
A:1901;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
PAM B:202;
Valid;
none;
submit data
254.408 C16 H30 O2 CCCCC...
NAG B:201;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C0B 2.5 Å NON-ENZYME: TOXIN_VIRAL STRUCTURAL BASIS FOR RECOGNITION OF FRIZZLED PROTEINS BY CLO DIFFICILE TOXIN B CLOSTRIDIOIDES DIFFICILE COMPLEX TOXIN
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF FRIZZLED PROTEI BYCLOSTRIDIUM DIFFICILETOXIN B. SCIENCE V. 360 664 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 6C0B - PAM C16 H30 O2 CCCCCCC=C/....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 6C0B - PAM C16 H30 O2 CCCCCCC=C/....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 6C0B - PAM C16 H30 O2 CCCCCCC=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Ligand no: 2; Ligand: PAM; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 VCA 1 1
2 PAM 1 1
3 ELA 0.939394 1
4 OLA 0.939394 1
5 NER 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 ODD 0.675 0.956522
9 X90 0.666667 0.954545
10 TDA 0.666667 0.954545
11 STE 0.666667 0.954545
12 EW8 0.666667 0.954545
13 F15 0.666667 0.954545
14 MYR 0.666667 0.954545
15 F23 0.666667 0.954545
16 DCR 0.666667 0.954545
17 11A 0.666667 0.954545
18 DAO 0.666667 0.954545
19 KNA 0.666667 0.954545
20 PLM 0.666667 0.954545
21 DKA 0.666667 0.954545
22 OCA 0.636364 0.954545
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.564103 0.84
27 ODT 0.555556 0.826087
28 T25 0.54717 0.709677
29 AZ1 0.53125 0.615385
30 10X 0.529412 0.645161
31 6NA 0.529412 0.863636
32 10Y 0.529412 0.645161
33 3X1 0.525 0.863636
34 243 0.519231 0.846154
35 MVC 0.519231 0.617647
36 VA 0.511111 0.692308
37 OLC 0.490566 0.617647
38 OLB 0.490566 0.617647
39 ACD 0.488889 0.956522
40 EOD 0.468085 0.677419
41 78N 0.444444 0.617647
42 78M 0.444444 0.617647
43 3LA 0.44186 0.769231
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 M12 0.428571 0.833333
48 MPG 0.425926 0.617647
49 9OD 0.422222 0.72
50 14V 0.413043 0.714286
51 BMJ 0.4 0.913043
52 D0G 0.4 0.913043
53 14U 0.4 0.678571
54 BNV 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C0B; Ligand: MLI; 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: 6c0b.bio2) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6C0B; Ligand: MLI; 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: 6c0b.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6C0B; Ligand: PAM; 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: 6c0b.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6C0B; Ligand: PAM; 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: 6c0b.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6C0B; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6c0b.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6C0B; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6c0b.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6C0B; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6c0b.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6C0B; Ligand: PAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6c0b.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6C0B; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6c0b.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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