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...
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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
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 ALA ALA ALA ALA ALA ALA 0.615385 0.923077
4 ALA ALA SER ALA SER ALA 0.591837 0.648649
5 ALA ALA ALA 0.589744 0.923077
6 ALA GLY GLY ALA ALA ALA ALA ALA 0.566038 0.705882
7 ALA GLY ALA ALA 0.541667 0.727273
8 ALA LYS ALA ALA 0.537037 0.685714
9 ALA VAL ALA 0.5 0.92
10 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.462963 0.75
11 ALA ALA 0.461538 0.846154
12 DAL DAL 0.461538 0.846154
13 ALA GLU ALA ALA GLN ALA 0.460317 0.705882
14 ALA ALA ALA ALA SER ALA ALA 0.45283 0.648649
15 ALA LEU SER ARG GLN 0.444444 0.638889
16 ALA THR ALA ALA 0.44 0.774194
17 ALA ALA PHE 0.421053 0.766667
18 ALA ALA CE7 0.42 0.666667
19 ALA LEU SER ARG 0.407407 0.638889
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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