Receptor
PDB id Resolution Class Description Source Keywords
5A0R 1.25 Å EC: 3.4.24.89 PRODUCT PEPTIDE-BOUND STRUCTURE OF METALLOPROTEASE ZMP1 VARI FROM CLOSTRIDIUM DIFFICILE CLOSTRIDIUM DIFFICILE HYDROLASE METALLOPROTEASE ZMP1 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 E:0;
D:0;
 Valid;
Valid;
 none;
none;
 submit data
497.505 n/a O=C(N...
GOL A:1223;
A:1224;
B:1222;
A:1222;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
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; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU VAL ASN PRO 1 1
2 ACE GLU VAL ASN PRO ALA VAL LPD 0.6875 0.947368
3 ACE GLU VAL ASN PRO PRO VAL LPD 0.673469 0.947368
4 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.66 0.947368
5 ACE GLU VAL ASN ALA PRO VAL LPD 0.612245 0.947368
6 ACE GLU VAL ALA PRO PRO VAL LPD 0.519231 0.894737
7 ACE PRO VAL GLN GLU THR NH2 0.470588 0.913793
8 ACE GLN GLU ARG GLU VAL PRO CYS 0.46087 0.809524
9 GLU VAL PTR GLU SER PRO 0.452991 0.708333
10 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.435484 0.857143
11 ACE MET GLU GLU VAL ASP 0.434783 0.627119
12 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.422222 0.625
13 ACE ILE GLU PRO ASJ 0.419048 0.830508
14 GLY PHE GLU PRO 0.411765 0.824561
15 ACE GLN PM3 GLU GLU ILE PRO 0.411765 0.742424
16 ASP ILE ASN TYS TYS THR SER GLU PRO 0.410853 0.619048
17 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.410448 0.84127
18 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.40625 0.815385
19 LEU PRO GLU THR GLY 0.40566 0.881356
20 ACE ALA SEP PRO 0.404255 0.734375
21 ACE VAL GLU ILE ASA 0.4 0.607143
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU VAL ASN PRO; 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