Receptor
PDB id Resolution Class Description Source Keywords
4C2C 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF THE PROTEASE CTPB IN AN ACTIVE STATE BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE PDZ-PROTEASES ALLOSTERIC REGULATION CONFORMATIOSWITCH SPORULATION PROTEOLYTIC TUNNEL
Ref.: CTPB ASSEMBLES A GATED PROTEASE TUNNEL REGULATING C SIGNALING DURING SPORE FORMATION IN BACILLUS SUBTIL CELL(CAMBRIDGE,MASS.) V. 155 647 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA ALA B:3;
 Valid;
 none;
 submit data
231.252 n/a O=C([...
ALA VAL PRO ALA C:2;
 Valid;
 none;
 submit data
356.423 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C2C 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF THE PROTEASE CTPB IN AN ACTIVE STATE BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE PDZ-PROTEASES ALLOSTERIC REGULATION CONFORMATIOSWITCH SPORULATION PROTEOLYTIC TUNNEL
Ref.: CTPB ASSEMBLES A GATED PROTEASE TUNNEL REGULATING C SIGNALING DURING SPORE FORMATION IN BACILLUS SUBTIL CELL(CAMBRIDGE,MASS.) V. 155 647 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2F - ALA ALA ALA n/a n/a
2 4C2C - ALA VAL PRO ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2F - ALA ALA ALA n/a n/a
2 4C2C - ALA VAL PRO ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2F - ALA ALA ALA n/a n/a
2 4C2C - ALA VAL PRO ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA ALA; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA 1 1
2 ALA ALA ALA ALA ALA ALA ALA 0.966667 1
3 ALA ALA 0.766667 0.923077
4 DAL DAL 0.766667 0.923077
5 ALA ALA ALA ALA SER ALA ALA 0.659091 0.702703
6 ALA THR ALA ALA 0.658537 0.83871
7 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.630435 0.8125
8 ALA ALA ALA ALA 0.589744 0.923077
9 ALA ALA ALA ALA ALA 0.589744 0.923077
10 MET ALA ALA 0.521739 0.684211
11 ASP GLN ILE ILE 0.489796 0.83871
12 ALA ALA CE7 0.488889 0.722222
13 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.473684 0.619048
14 MET VAL GLY GLY VAL VAL ILE ALA 0.463415 0.774194
15 VAL THR SER VAL VAL 0.45283 0.684211
16 ALA LEU ALA LEU 0.44 0.8125
17 ALA ALA SER ALA SER ALA 0.423077 0.657895
18 ALA ILE ALA VAL 0.423077 0.8125
19 ARG ARG ALA ALA 0.409836 0.604651
20 ALA LEU 0.404762 0.774194
21 ALA FGA API DAL DAL 0.402985 0.764706
22 ALA ALA PHE 0.4 0.71875
Ligand no: 2; Ligand: ALA VAL PRO ALA; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA VAL PRO ALA 1 1
2 ALA VAL PRO ILE 0.716418 0.94
3 ALA VAL PRO ILE ALA GLN LYS SER GLU 0.681159 0.9
4 ALA VAL PRO ILE ALA GLN LYS 0.681159 0.9
5 ACE ALA PRO ALA 0.584615 0.916667
6 SER VAL PRO ILE 0.565789 0.824561
7 ALA VAL PRO ILE ALA GLN 0.563218 0.903846
8 ALA VAL PRO TRP 0.527473 0.839286
9 ALA PRO THR 0.514706 0.901961
10 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.511905 0.903846
11 ASP SER THR THR PRO ALA PRO THR 0.481928 0.803571
12 ILE PRO ILE 0.459459 0.9
13 ALA THR PRO PHE GLN GLU 0.443182 0.818182
14 389 0.435294 0.830189
15 ASN LEU VAL PRO THR VAL ALA THR VAL 0.432692 0.810345
16 SER SER GLY LYS VAL PRO LEU 0.431373 0.810345
17 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.428571 0.810345
18 SER SER GLY LYS VAL PRO LEU SER 0.428571 0.79661
19 PRO GLY PRO LEU PRO ALA 0.423913 0.854545
20 ASN LEU VAL PRO SER VAL ALA THR VAL 0.416667 0.783333
21 SER THR CYS PRO ALA ALA 0.41573 0.775862
22 ALA PRO 0.412698 0.854167
23 ACE GLU VAL ASN PRO ALA VAL LPD 0.403846 0.824561
24 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.4 0.810345
25 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.4 0.821429
26 PRO THR PRO SER ALA PRO VAL PRO LEU 0.4 0.770492
27 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.4 0.810345
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C2C; Ligand: ALA VAL PRO ALA; 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: 4c2c.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4C2C; Ligand: ALA ALA ALA; 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: 4c2c.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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