Receptor
PDB id Resolution Class Description Source Keywords
6EOM 2.1 Å NON-ENZYME: OTHER STRUCTURE OF DPP III FROM CALDITHRIX ABYSSI CALDITHRIX ABYSSI DSM 13497 CALDITHRIX ABYSSI METALLOPEPTIDASE DIPEPTIDYL PEPTIDASE IIIII ZINC-HYDROLASE HYDROLASE
Ref.: THE FIRST DIPEPTIDYL PEPTIDASE III FROM A THERMOPHI STRUCTURAL BASIS FOR THERMAL STABILITY AND REDUCED PLOS ONE V. 13 92488 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:607;
Part of Protein;
none;
submit data
22.99 Na [Na+]
EDO A:604;
A:603;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ALA LYS A:605;
Valid;
none;
submit data
217.269 n/a O=C([...
ZN A:601;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
CL A:602;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EOM 2.1 Å NON-ENZYME: OTHER STRUCTURE OF DPP III FROM CALDITHRIX ABYSSI CALDITHRIX ABYSSI DSM 13497 CALDITHRIX ABYSSI METALLOPEPTIDASE DIPEPTIDYL PEPTIDASE IIIII ZINC-HYDROLASE HYDROLASE
Ref.: THE FIRST DIPEPTIDYL PEPTIDASE III FROM A THERMOPHI STRUCTURAL BASIS FOR THERMAL STABILITY AND REDUCED PLOS ONE V. 13 92488 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6EOM - ALA LYS 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 1331 families.
1 6EOM - ALA LYS 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 1144 families.
1 6EOM - ALA LYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA LYS; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS 1 1
2 VAL LYS 0.711111 0.944444
3 LEU LYS 0.666667 0.918919
4 LYS LYS 0.652174 0.916667
5 GLN LYS 0.6 0.891892
6 LYS ALA LYS 0.566038 0.918919
7 ALA ARG 0.56 0.804878
8 ALA GLN 0.555556 0.756757
9 LYS VAL LYS 0.545455 0.871795
10 LYS ILE LYS 0.54386 0.85
11 LYS LYS LYS 0.538462 0.891892
12 LYS LEU LYS 0.535714 0.85
13 LYS DPP LYS 0.528302 0.825
14 LYS NVA LYS 0.527273 0.871795
15 LYS THR LYS 0.526316 0.809524
16 LYS DAB LYS 0.518519 0.846154
17 LYS NLE LYS 0.517857 0.85
18 LYS ASN LYS 0.517857 0.804878
19 LYS SER LYS 0.509091 0.785714
20 LYS CYS LYS 0.509091 0.846154
21 LYS ALA THR LYS MLY 0.507937 0.653846
22 LYS ASP LYS 0.5 0.846154
23 LYS GLN LYS 0.5 0.868421
24 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.491525 0.8
25 DAS DLY 0.490196 0.756098
26 ALA LEU 0.488889 0.702703
27 LYS MET LYS 0.483333 0.809524
28 LYS GLU LYS 0.482759 0.868421
29 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.470588 0.772727
30 LYS ORN LYS 0.459016 0.846154
31 LYS ARG LYS 0.453125 0.767442
32 LYS GLY LYS 0.448276 0.846154
33 LYS LYS LYS ALA 0.440678 0.918919
34 CYS ASP PTR ALA ASN PHE LYS 0.430556 0.790698
35 ALA PHE 0.418182 0.702703
36 LYS ALC LYS 0.41791 0.825
37 LYS ASN LEU 0.412698 0.790698
38 LYS HPE LYS 0.405797 0.825
39 LYS TYR LYS 0.405797 0.733333
40 PRO LEU SER LYS 0.405405 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA LYS; Similar ligands found: 24
No: Ligand Similarity coefficient
1 ALA GLU 0.9464
2 ALA DGL 0.9361
3 GLY MET 0.9313
4 IN2 0.9252
5 NLG 0.9023
6 AME 0.8962
7 JAA 0.8962
8 AQK 0.8951
9 C26 0.8894
10 NBB 0.8870
11 8V0 0.8838
12 AE5 0.8838
13 AOR 0.8815
14 GLY LEU 0.8750
15 NLQ 0.8748
16 GLY PHE 0.8737
17 ALA ZGL 0.8721
18 2QE 0.8713
19 BRR 0.8692
20 PCV 0.8653
21 OKM 0.8650
22 CIL 0.8621
23 X3J 0.8593
24 PBG 0.8550
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EOM; Ligand: ALA LYS; 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: 6eom.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback