Receptor
PDB id Resolution Class Description Source Keywords
6JN0 2.16 Å EC: 3.-.-.- STRUCTURE OF H247A MUTANT PEPTIDOGLYCAN PEPTIDASE COMPLEX WI TRI PEPTIDE CAMPYLOBACTER JEJUNI PEPTIDOGLYCAN HYDROLASE
Ref.: PEPTIDOGLYCAN RESHAPING BY A NONCANONICAL PEPTIDASE HELICAL CELL SHAPE IN CAMPYLOBACTER JEJUNI. NAT COMMUN V. 11 458 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:300;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
API DAL C0O B:1;
 Valid;
 none;
 submit data
433.462 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6JMY 1.66 Å EC: 3.-.-.- STRUCTURE OF WILD TYPE CLOSED FORM OF PEPTIDOGLYCAN PEPTIDAS CAMPYLOBACTER JEJUNI PEPTIDOGLYCAN HYDROLASE
Ref.: PEPTIDOGLYCAN RESHAPING BY A NONCANONICAL PEPTIDASE HELICAL CELL SHAPE IN CAMPYLOBACTER JEJUNI. NAT COMMUN V. 11 458 2020
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6JN0 - API DAL C0O n/a n/a
2 6JMY - CIT C6 H8 O7 C(C(=O)O)C....
3 6JN7 - TAR C4 H6 O6 [C@H]([C@@....
4 6KV1 - CIT C6 H8 O7 C(C(=O)O)C....
5 6JN1 - C0O DAL DAL n/a n/a
6 6JMX - TAR C4 H6 O6 [C@H]([C@@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 6JN0 - API DAL C0O n/a n/a
2 6JMY - CIT C6 H8 O7 C(C(=O)O)C....
3 6JN7 - TAR C4 H6 O6 [C@H]([C@@....
4 6KV1 - CIT C6 H8 O7 C(C(=O)O)C....
5 6JN1 - C0O DAL DAL n/a n/a
6 6JMX - TAR C4 H6 O6 [C@H]([C@@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6JN0 - API DAL C0O n/a n/a
2 6JMY - CIT C6 H8 O7 C(C(=O)O)C....
3 6JN7 - TAR C4 H6 O6 [C@H]([C@@....
4 6KV1 - CIT C6 H8 O7 C(C(=O)O)C....
5 6JN1 - C0O DAL DAL n/a n/a
6 6JMX - TAR C4 H6 O6 [C@H]([C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: API DAL C0O; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 API DAL C0O 1 1
2 C0O DAL DAL 0.7 0.969697
3 LYS ALA LYS 0.654545 0.864865
4 MET ALA ARG 0.507246 0.680851
5 PHE ALA GLN 0.442857 0.833333
6 MET ALA ALA 0.433333 0.794872
7 LYS LEU LYS 0.424242 0.8
8 LYS VAL LYS 0.409091 0.820513
Similar Ligands (3D)
Ligand no: 1; Ligand: API DAL C0O; 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 : 6JMY; Ligand: CIT; 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: 6jmy.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback