Receptor
PDB id Resolution Class Description Source Keywords
6IKG 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SUBSTRATE-BOUND S9 PEPTIDASE (S514A MUT DEINOCOCCUS RADIODURANS DEINOCOCCUS RADIODURANS R1 SERINE PEPTIDASE MEROPS S9 POP FAMILY HYDROLASE
Ref.: CARBOXYPEPTIDASE IN PROLYL OLIGOPEPTIDASE FAMILY: U ENZYME ACTIVATION AND SUBSTRATE-SCREENING MECHANISM J.BIOL.CHEM. V. 294 89 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET ALA ALA F:1;
E:1;
Valid;
Valid;
none;
none;
submit data
291.372 n/a S(CCC...
GOL A:701;
B:702;
C:701;
B:701;
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
6IKG 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SUBSTRATE-BOUND S9 PEPTIDASE (S514A MUT DEINOCOCCUS RADIODURANS DEINOCOCCUS RADIODURANS R1 SERINE PEPTIDASE MEROPS S9 POP FAMILY HYDROLASE
Ref.: CARBOXYPEPTIDASE IN PROLYL OLIGOPEPTIDASE FAMILY: U ENZYME ACTIVATION AND SUBSTRATE-SCREENING MECHANISM J.BIOL.CHEM. V. 294 89 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6IKG - MET 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 261 families.
1 6IKG - MET 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 214 families.
1 6IKG - MET ALA ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET ALA ALA; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 MET ALA ALA 1 1
2 C0O DAL DAL 0.62 0.820513
3 MET ALA ARG 0.5625 0.808511
4 ALA ALA ALA 0.521739 0.684211
5 ALA ALA ALA ALA ALA ALA ALA 0.510638 0.684211
6 API DAL C0O 0.433333 0.794872
7 MET GLY GLY 0.431034 0.837209
8 ALA THR ALA ALA 0.428571 0.604651
9 LYS ALA LYS 0.42623 0.744186
10 ARG ARG ALA ALA 0.42029 0.6875
11 ALA ALA ALA ALA SER ALA ALA 0.416667 0.704545
12 DAL DAL 0.413043 0.631579
Similar Ligands (3D)
Ligand no: 1; Ligand: MET ALA ALA; 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 : 6IKG; Ligand: MET 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: 6ikg.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6IKG; Ligand: MET 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: 2) in the query (biounit: 6ikg.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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