Receptor
PDB id Resolution Class Description Source Keywords
5A0X 1.7 Å EC: 3.4.24.89 SUBSTRATE PEPTIDE-BOUND STRUCTURE OF METALLOPROTEASE ZMP1 VA E143AY178F FROM CLOSTRIDIUM DIFFICILE CLOSTRIDIUM DIFFICILE HYDROLASE METALLOPROTEASE PROLINE SPECIFICITY
Ref.: STRUCTURAL BASIS OF PROLINE-PROLINE PEPTIDE BOND SP OF THE METALLOPROTEASE ZMP1 IMPLICATED IN MOTILITY CLOSTRIDIUM DIFFICILE. STRUCTURE V. 23 1632 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1221;
B:1221;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
ACE GLU VAL ASN PRO PRO VAL PRO NH2 D:0;
C:0;
 Valid;
Valid;
 none;
none;
 submit data
791.904 n/a O=C(N...
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 PRO NH2; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU VAL ASN PRO PRO VAL PRO NH2 1 1
2 ACE GLU VAL ASN PRO PRO VAL LPD 0.861386 1
3 ACE GLU VAL ALA PRO PRO VAL LPD 0.685185 0.947368
4 ACE GLU VAL ASN PRO 0.66 0.947368
5 ACE GLU VAL ASN PRO ALA VAL LPD 0.646018 1
6 ACE GLU VAL ASN ALA PRO VAL LPD 0.625 1
7 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.478261 0.883333
8 ACE PRO VAL GLN GLU THR NH2 0.474576 0.868852
9 ACE GLN GLU ARG GLU VAL PRO CYS 0.454545 0.8
10 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.441176 0.901639
11 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.4375 0.768116
12 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.437037 0.901639
13 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.42029 0.887097
14 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.42 0.859375
15 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.418803 0.836066
16 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.416667 0.78125
17 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.416058 0.854839
18 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.414286 0.885246
19 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.411765 0.84127
20 GLU PRO VAL GLU THR THR ASP TYR 0.411348 0.84375
21 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.405797 0.854839
22 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.402778 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU VAL ASN PRO PRO VAL PRO NH2; 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
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