Receptor
PDB id Resolution Class Description Source Keywords
4C2G 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF CTPB(S309A) IN COMPLEX WITH A PEPTIDE H VAL-PRO-ALA C-TERMINUS BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE-PEPTIDE COMPLEX PDZ-PROTEASES ALLOSTERIC REGULATCONFORMATIONAL SWITCH 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 ALA B:3;
 Valid;
 none;
 submit data
287.34 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C2G 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF CTPB(S309A) IN COMPLEX WITH A PEPTIDE H VAL-PRO-ALA C-TERMINUS BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE-PEPTIDE COMPLEX PDZ-PROTEASES ALLOSTERIC REGULATCONFORMATIONAL SWITCH 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ALA ALA ALA; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA 1 1
2 ALA ALA ALA ALA 1 1
3 ALA LEU SER ARG GLN 0.659574 0.666667
4 ALA LEU SER ARG 0.617021 0.666667
5 ALA ALA ALA ALA ALA ALA ALA 0.615385 0.923077
6 ALA ALA SER ALA SER ALA 0.591837 0.648649
7 ALA ALA ALA 0.589744 0.923077
8 ALA GLY GLY ALA ALA ALA ALA ALA 0.566038 0.705882
9 ALA GLY ALA ALA 0.541667 0.727273
10 ALA LYS ALA ALA 0.537037 0.685714
11 ALA VAL ALA 0.5 0.92
12 ILE GLY LEU TRP LYS SER 0.491228 0.666667
13 DAL DAL 0.461538 0.846154
14 ALA GLU ALA ALA GLN ALA 0.460317 0.705882
15 ALA ALA ALA ALA SER ALA ALA 0.45283 0.648649
16 ALA THR ALA ALA 0.44 0.774194
17 LYS TYR PRO PHE VAL GLU PRO ILE 0.431818 0.724138
18 ALA ALA PHE 0.421053 0.766667
19 ALA ALA CE7 0.42 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA ALA ALA; Similar ligands found: 5
No: Ligand Similarity coefficient
1 KGT 0.9036
2 SER THR SER ALA 0.8930
3 GLY ALA THR VAL 0.8842
4 GSH 0.8738
5 2YJ 0.8631
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C2G; Ligand: ALA 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: 1) in the query (biounit: 4c2g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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