Receptor
PDB id Resolution Class Description Source Keywords
1Y79 2 Å EC: 3.4.15.5 CRYSTAL STRUCTURE OF THE E.COLI DIPEPTIDYL CARBOXYPEPTIDASE DCP IN COMPLEX WITH A PEPTIDIC INHIBITOR ESCHERICHIA COLI HINGE BENDING; PEPTIDYL DIPEPTIDASE; CARBOXYPEPTIDASE; DCP; NEUROLYSIN; ACE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE E.COLI DIPEPTIDYL CARBOXYPEPTIDASE DCP: FURTHER INDICATION OF A LIGAND-DEPENDANT HINGE MOVEMENT MECHANISM J.MOL.BIOL. V. 349 99 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ASP 1:703;
Valid;
none;
ic50 = 12 uM
189.147 n/a O=C([...
LYS TRP 1:701;
Valid;
none;
ic50 = 9 uM
333.412 n/a O=C([...
ZN 1:700;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y79 2 Å EC: 3.4.15.5 CRYSTAL STRUCTURE OF THE E.COLI DIPEPTIDYL CARBOXYPEPTIDASE DCP IN COMPLEX WITH A PEPTIDIC INHIBITOR ESCHERICHIA COLI HINGE BENDING; PEPTIDYL DIPEPTIDASE; CARBOXYPEPTIDASE; DCP; NEUROLYSIN; ACE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE E.COLI DIPEPTIDYL CARBOXYPEPTIDASE DCP: FURTHER INDICATION OF A LIGAND-DEPENDANT HINGE MOVEMENT MECHANISM J.MOL.BIOL. V. 349 99 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Y79 ic50 = 12 uM GLY ASP 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 1 families.
1 1Y79 ic50 = 12 uM GLY ASP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Y79 ic50 = 12 uM GLY ASP n/a n/a
2 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY ASP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ASP 1 1
2 GLY PHE 0.425532 0.833333
3 GLY SER ASN SER 0.411765 0.825
4 GLY TYR 0.408163 0.756098
Ligand no: 2; Ligand: LYS TRP; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS TRP 1 1
2 LYS TRP LYS 0.786667 0.957447
3 PCA LYS TRP 0.6 0.9
4 GLU ASP ASN ASP TRP ASN 0.559524 0.764706
5 ASP TRP ASN 0.559524 0.764706
6 TYR GLU TRP 0.555556 0.769231
7 ASP GLU ASP LYS TRP ASP ASP PHE 0.544554 0.9
8 ACE GLU TRP TRP TRP 0.534884 0.764706
9 ALA LEU ASP LYS TRP ASP 0.524752 0.849057
10 ARG LEU TRP SER 0.52 0.745763
11 GLU LEU GLU LYS TRP ALA SER 0.509091 0.818182
12 GLU ASN ASP LYS TRP ALA SER 0.508929 0.818182
13 TRP GLY 0.506494 0.87234
14 PCA GLN TRP 0.505376 0.82
15 GLU LEU ASP LYS TRP ALA ASN 0.504425 0.818182
16 GLU GLN ASP LYS TRP ALA SER 0.504425 0.833333
17 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.504348 0.75
18 MET ASN TRP ASN ILE 0.5 0.709091
19 GLU ALA ASP LYS TRP GLN SER 0.495575 0.833333
20 GLU LEU ASP LYS TRP ALA SER 0.495575 0.803571
21 PCA ASN TRP 0.494624 0.754717
22 TRP GLU GLU LEU 0.494505 0.803922
23 LYS ALN LYS 0.494253 0.833333
24 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.487395 0.737705
25 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.483607 0.775862
26 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.483607 0.775862
27 GLU LEU ASP LYS TRP ALA GLY 0.482143 0.849057
28 ALA LEU ASP LYS TRP ALA SER 0.481818 0.803571
29 TRP PRO TRP 0.478723 0.781818
30 ALA LEU ASP LYS TRP GLN ASN 0.471154 0.865385
31 ILE ASP TRP PHE ASP GLY LYS ASP 0.470588 0.818182
32 GLY SER ASP PRO TRP LYS 0.469565 0.737705
33 R59 0.463415 0.74
34 R38 0.463415 0.74
35 GLU LEU ASP ORN TRP ALA SER 0.46087 0.785714
36 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.460177 0.865385
37 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.460177 0.733333
38 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.457944 0.709677
39 ALA VAL PRO TRP 0.455446 0.77193
40 ILE ASP TRP PHE GLU GLY LYS GLU 0.451613 0.818182
41 ILE ASP TRP PHE ASP GLY LYS GLU 0.451613 0.818182
42 PRO GLY LEU TRP 0.45098 0.849057
43 LTN 0.450704 0.711111
44 LYS LYS 0.449275 0.73913
45 PRO SER ARG TRP 0.448598 0.762712
46 PRO GLY LEU TRP LYS SER 0.448276 0.849057
47 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.447761 0.714286
48 ASP TRP GLU ILE VAL 0.447619 0.754717
49 ARG ARG ARG ARG SER TRP TYR 0.446602 0.728814
50 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.445545 0.722222
51 ASP SER TRP LYS ASP GLY CYS TYR 0.444444 0.762712
52 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.439655 0.698413
53 THR SER THR THR SER VAL ALA SER SER TRP 0.439252 0.732143
54 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.439024 0.789474
55 TRP 0.432432 0.673913
56 DTR 0.432432 0.673913
57 LSW 0.428571 0.877551
58 X95 0.428571 0.877551
59 TR7 0.428571 0.612245
60 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.425926 0.714286
61 LYS HIS LYS 0.420455 0.857143
62 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.41958 0.671642
63 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.416058 0.75
64 LYS TYR LYS 0.413793 0.745098
65 LYS HPE LYS 0.413793 0.787234
66 LYS LYS LYS 0.413333 0.723404
67 GLU LEU ASP HOX TRP ALA SER 0.413223 0.711864
68 LYS GLN LYS 0.4125 0.708333
69 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.412371 0.72549
70 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.408163 0.652174
71 LYS DPP LYS 0.407895 0.68
72 TYR TRP ALA ALA ALA ALA 0.407767 0.716981
73 LYS ASN LYS 0.405063 0.666667
74 SER TRP PHE PRO 0.40367 0.75
75 LYS DAB LYS 0.402597 0.693878
76 MET LEU ILE TYR SER MET TRP GLY LYS 0.401408 0.671642
77 GLU LEU ASP NRG TRP ALA SER 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y79; Ligand: LYS TRP; 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: 1y79.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Y79; Ligand: GLY ASP; 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: 1y79.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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