Receptor
PDB id Resolution Class Description Source Keywords
6R57 1.9 Å EC: 3.4.24.89 CRYSTAL STRUCTURE OF PPEP-1(E143A/Y178F/E184A) IN COMPLEX WI SUBSTRATE PEPTIDE AC-EVNPPVP-CONH2 PEPTOCLOSTRIDIUM DIFFICILE PRO-PRO ENDOPEPTIDASE 1 ZINC METALLOPEPTIDASE CLOSTRIDIUM DIFFICILE VIRULENCE FACTOR HYDROLASE
Ref.: MOLECULAR DETERMINANTS OF THE MECHANISM AND SUBSTRA SPECIFICITY OFCLOSTRIDIUM DIFFICILEPROLINE-PROLINE ENDOPEPTIDASE-1. J.BIOL.CHEM. V. 294 11525 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE GLU VAL ASN PRO PRO VAL LPD D:10;
C:10;
 Valid;
Valid;
 none;
none;
 submit data
790.896 n/a O=C(N...
ZN B:301;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6R4Z 1.05 Å EC: 3.4.24.89 CRYSTAL STRUCTURE OF HOLO PPEP-1(E143A/Y178F) IN COMPLEX WIT PEPTIDE AC-EVNP-CO2 (SUBSTRATE PEPTIDE: AC-EVNPPVP-CONH2) PEPTOCLOSTRIDIUM DIFFICILE PRO-PRO ENDOPEPTIDASE 1 ZINC METALLOPEPTIDASE CLOSTRIDIUM DIFFICILE VIRULENCE FACTOR HYDROLASE
Ref.: MOLECULAR DETERMINANTS OF THE MECHANISM AND SUBSTRA SPECIFICITY OFCLOSTRIDIUM DIFFICILEPROLINE-PROLINE ENDOPEPTIDASE-1. J.BIOL.CHEM. V. 294 11525 2019
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6R57 - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
2 6R4X - ACE GLU VAL ASN PRO ALA VAL LPD n/a n/a
3 5A0R - ACE GLU VAL ASN PRO n/a n/a
4 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
5 6R4W - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
6 6R4Z - ACE GLU VAL ASN PRO n/a n/a
7 6R5C - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
8 6R51 - ACE SER LEU ARG PRO ALA PRO LPD n/a n/a
9 6R58 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
10 6R4Y - ACE GLU VAL ASN PRO n/a n/a
11 6R50 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
12 6R59 - ACE GLU VAL ALA PRO PRO VAL LPD n/a n/a
13 6R5B - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
14 5N12 - 8FH C2 H3 Cl3 O C(C(Cl)(Cl....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6R57 - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
2 6R4X - ACE GLU VAL ASN PRO ALA VAL LPD n/a n/a
3 5A0R - ACE GLU VAL ASN PRO n/a n/a
4 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
5 6R4W - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
6 6R4Z - ACE GLU VAL ASN PRO n/a n/a
7 6R5C - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
8 6R51 - ACE SER LEU ARG PRO ALA PRO LPD n/a n/a
9 6R58 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
10 6R4Y - ACE GLU VAL ASN PRO n/a n/a
11 6R50 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
12 6R59 - ACE GLU VAL ALA PRO PRO VAL LPD n/a n/a
13 6R5B - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
14 5N12 - 8FH C2 H3 Cl3 O C(C(Cl)(Cl....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6R57 - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
2 6R4X - ACE GLU VAL ASN PRO ALA VAL LPD n/a n/a
3 5A0R - ACE GLU VAL ASN PRO n/a n/a
4 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
5 6R4W - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
6 6R4Z - ACE GLU VAL ASN PRO n/a n/a
7 6R5C - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
8 6R51 - ACE SER LEU ARG PRO ALA PRO LPD n/a n/a
9 6R58 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
10 6R4Y - ACE GLU VAL ASN PRO n/a n/a
11 6R50 - ACE GLU VAL ASN ALA PRO VAL LPD n/a n/a
12 6R59 - ACE GLU VAL ALA PRO PRO VAL LPD n/a n/a
13 6R5B - ACE GLU VAL ASN PRO PRO VAL LPD n/a n/a
14 5N12 - 8FH C2 H3 Cl3 O C(C(Cl)(Cl....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE GLU VAL ASN PRO PRO VAL LPD; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU VAL ASN PRO PRO VAL LPD 1 1
2 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.861386 1
3 ACE GLU VAL ALA PRO PRO VAL LPD 0.8 0.947368
4 ACE GLU VAL ASN PRO ALA VAL LPD 0.752381 1
5 ACE GLU VAL ASN ALA PRO VAL LPD 0.730769 1
6 ACE GLU VAL ASN PRO 0.673469 0.947368
7 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.463768 0.883333
8 ACE GLN GLU ARG GLU VAL PRO CYS 0.450382 0.8
9 ACE PRO VAL GLN GLU THR NH2 0.445378 0.868852
10 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.437037 0.901639
11 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.432836 0.901639
12 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.423611 0.768116
13 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.423077 0.78125
14 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.413793 0.836066
15 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.407407 0.84127
16 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.406667 0.859375
17 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.405797 0.887097
18 ACE ILE GLU PRO ASJ 0.401639 0.790323
19 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.40146 0.854839
20 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.40146 0.854839
21 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.4 0.796875
22 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.4 0.885246
23 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.4 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU VAL ASN PRO PRO VAL LPD; 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 : 6R4Z; Ligand: ACE GLU VAL ASN PRO; 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: 6r4z.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback