Receptor
PDB id Resolution Class Description Source Keywords
5LZH 1.13 Å EC: 2.4.2.36 CHOLERA TOXIN CLASSICAL B-PENTAMER IN COMPLEX WITH INHIBITOR VIBRIO CHOLERAE CHOLERA TOXIN B-PENTAMER INHIBITOR TOXIN
Ref.: TOWARDS NEW CHOLERA PROPHYLACTICS AND TREATMENT: CR STRUCTURES OF BACTERIAL ENTEROTOXINS IN COMPLEX WIT MIMICS. SCI REP V. 7 2326 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA C:202;
C:203;
E:203;
 Part of Protein;
Part of Protein;
Invalid;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
TRS D:202;
 Invalid;
 none;
 submit data
122.143 C4 H12 N O3 C(C(C...
MRD B:202;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@H...
PEG E:202;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
7BN E:201;
C:201;
D:201;
A:201;
B:201;
 Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
 submit data
621.592 C24 H39 N5 O14 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LZH 1.13 Å EC: 2.4.2.36 CHOLERA TOXIN CLASSICAL B-PENTAMER IN COMPLEX WITH INHIBITOR VIBRIO CHOLERAE CHOLERA TOXIN B-PENTAMER INHIBITOR TOXIN
Ref.: TOWARDS NEW CHOLERA PROPHYLACTICS AND TREATMENT: CR STRUCTURES OF BACTERIAL ENTEROTOXINS IN COMPLEX WIT MIMICS. SCI REP V. 7 2326 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1S5E - GAL C6 H12 O6 C([C@@H]1[....
2 1S5D - GAL C6 H12 O6 C([C@@H]1[....
3 5LZH - 7BN C24 H39 N5 O14 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1LT4 - BGC GAL n/a n/a
2 1LT3 - BGC GAL n/a n/a
3 1S5E - GAL C6 H12 O6 C([C@@H]1[....
4 1S5D - GAL C6 H12 O6 C([C@@H]1[....
5 5LZH - 7BN C24 H39 N5 O14 CC(=O)N[C@....
6 4L6T Kd = 32 nM BGC GAL SIA NGA GAL 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 5 families.
1 1LT4 - BGC GAL n/a n/a
2 1LT3 - BGC GAL n/a n/a
3 1S5E - GAL C6 H12 O6 C([C@@H]1[....
4 1S5D - GAL C6 H12 O6 C([C@@H]1[....
5 5LZH - 7BN C24 H39 N5 O14 CC(=O)N[C@....
6 4L6T Kd = 32 nM BGC GAL SIA NGA GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7BN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7BN 1 1
2 7DB 0.638462 0.958904
3 7BQ 0.638462 0.958904
Similar Ligands (3D)
Ligand no: 1; Ligand: 7BN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LZH; Ligand: 7BN; 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: 5lzh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5LZH; Ligand: 7BN; 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: 5lzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5LZH; Ligand: 7BN; 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: 5lzh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5LZH; Ligand: 7BN; 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: 5lzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5LZH; Ligand: 7BN; 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: 5lzh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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