Receptor
PDB id Resolution Class Description Source Keywords
6I6H 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE KDEL RECEPTOR IN THE PEPTIDE BOUND GALLUS GALLUS INTRACELLULAR PROTEIN RECEPTOR MEMBRANE PROTEIN KDEL ERD2
Ref.: STRUCTURAL BASIS FOR PH-DEPENDENT RETRIEVAL OF ER P FROM THE GOLGI BY THE KDEL RECEPTOR. SCIENCE V. 363 1103 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:410;
A:404;
A:402;
A:408;
A:406;
A:401;
A:409;
A:405;
A:411;
A:407;
A:403;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
ALA GLU LYS ASP GLU LEU B:2;
 Valid;
 none;
 submit data
701.731 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6I6H 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE KDEL RECEPTOR IN THE PEPTIDE BOUND GALLUS GALLUS INTRACELLULAR PROTEIN RECEPTOR MEMBRANE PROTEIN KDEL ERD2
Ref.: STRUCTURAL BASIS FOR PH-DEPENDENT RETRIEVAL OF ER P FROM THE GOLGI BY THE KDEL RECEPTOR. SCIENCE V. 363 1103 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6I6H - ALA GLU LYS ASP GLU LEU 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 214 families.
1 6I6H - ALA GLU LYS ASP GLU LEU 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 181 families.
1 6I6H - ALA GLU LYS ASP GLU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA GLU LYS ASP GLU LEU; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLU LYS ASP GLU LEU 1 1
2 ALA LYS GLU LYS SER ASP 0.666667 0.829787
3 ALA GLU ASP ASP VAL GLU 0.558442 0.818182
4 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.557692 0.724138
5 ALA ARG LYS LEU ASP 0.552941 0.875
6 GLU ASP LEU 0.549296 0.857143
7 HIS GLU GLU LEU ALA LYS LEU 0.517647 0.952381
8 SER LEU LYS ILE ASP ASN GLU ASP 0.514563 0.82
9 LYS GLU LYS 0.513514 0.880952
10 LYS ASN LEU 0.513158 0.931818
11 LYS THR LYS LEU LEU 0.511905 0.891304
12 ALA ASP LYS ILE ASP ASN LEU ASP 0.510417 0.87234
13 ALA LEU LYS ILE ASP ASN LEU ASP 0.505155 0.87234
14 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.504348 0.711864
15 VAL LEU CIR ASP ASP LEU LEU GLU ALA 0.5 0.833333
16 GLU ILE ILE ASN PHE GLU LYS LEU 0.5 0.875
17 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.495495 0.745455
18 ALA LEU ASP LYS TRP ASP 0.495146 0.759259
19 PHE LEU GLU LYS 0.494505 0.888889
20 CYS THR GLU LEU LYS LEU SER ASP TYR 0.491071 0.745455
21 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.489362 0.8
22 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.487395 0.706897
23 LYS ASP LYS 0.486486 0.904762
24 LEU LYS THR LYS LEU LEU 0.482759 0.891304
25 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.482353 0.869565
26 SER ILE ILE ASN PHE GLU LYS LEU 0.481818 0.788462
27 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.480769 0.84
28 ACE VAL LYS GLU SER LEU VAL 0.478261 0.891304
29 ASP ALA ASP GLU GLU ASP PHE 0.477778 0.744681
30 ALA LEU LYS ILE ASP ASN MET ASP 0.47619 0.803922
31 ALA ARG LYS ILE ASP ASN LEU ASP 0.472222 0.792453
32 ALA LEU ASP LYS TRP GLN ASN 0.471154 0.773585
33 ASP ALA ASP GLU TYR LEU 0.469388 0.705882
34 GLU LEU ASP LYS TYR ALA SER 0.46729 0.773585
35 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.465347 0.976744
36 TYR GLN SER LYS LEU 0.463918 0.773585
37 SER LEU LEU LYS LYS LEU LEU ASP 0.45977 0.893617
38 ALA LEU ASP LYS TRP ALA SER 0.455357 0.719298
39 LYS LEU LYS 0.454545 0.952381
40 ALA THR LYS ILE ASP ASN LEU ASP 0.451923 0.82
41 LYS LYS LYS ALA 0.441558 0.880952
42 GLY SER LYS MET GLU GLU VAL ASP 0.44 0.807692
43 THR LEU ILE ASP LEU THR GLU LEU ILE 0.438776 0.75
44 SER ILE ILE GLY PHE GLU LYS LEU 0.438596 0.803922
45 VAL LEU GLU ASP ARG ILE 0.438202 0.837209
46 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.436975 0.82
47 ASP LEU LYS ILE ASP ASN LEU ASP 0.436893 0.87234
48 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.436364 0.784314
49 GLY GLY LYS LYS LYS TYR LYS LEU 0.434343 0.803922
50 ALA DGL 0.432836 0.738095
51 SER ASP LYS ILE ASP ASN LEU ASP 0.432692 0.82
52 LYS LYS LYS 0.432432 0.857143
53 SER SER ARG THR ARG ARG GLU GLU GLN LEU 0.43038 0.857143
54 THR ARG ARG GLU THR GLN LEU 0.43 0.773585
55 ALA SER ASN GLU ASP MET GLU THR MET 0.43 0.703704
56 GLY GLY LYS LYS LYS TYR GLN LEU 0.428571 0.803922
57 SER LEU LYS ILE ASP ASN LEU ASP 0.428571 0.82
58 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.427419 0.688525
59 ASP GLU LEU GLU ILE LYS ALA TYR 0.426087 0.823529
60 ARG ASP ARG ALA ALA LYS LEU 0.425532 0.833333
61 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.423729 0.706897
62 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.423423 0.792453
63 GLY ALA ASP GLY VAL GLY LYS SER ALA LEU 0.422018 0.836735
64 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.421488 0.706897
65 GLU LEU ASP LYS TRP ALA SER 0.420168 0.719298
66 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.419643 0.735849
67 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.418367 0.773585
68 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.416667 0.745455
69 GLU LEU ASP LYS TRP ALA ASN 0.416667 0.732143
70 ASN LEU LEU GLN LYS LYS 0.414894 0.909091
71 ALA LEU ALA LEU 0.413333 0.761905
72 LEU LYS 0.413333 0.880952
73 LYS GLN LYS 0.4125 0.880952
74 ALA LYS ALA ALA 0.4125 0.833333
75 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.408696 0.689655
76 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.408696 0.677966
77 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.407767 0.698113
78 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.407407 0.904762
79 SER LEU LYS ILE ASP ASN MET ASP 0.40708 0.759259
80 GLU LEU ASP LYS TRP ALA GLY 0.40678 0.759259
81 LYS NLE LYS 0.405063 0.863636
82 ALA LYS ALA SER GLN ALA ALA 0.404255 0.826087
83 LYS VAL ILE THR PHE ILE ASP LEU 0.403509 0.803922
84 ALA ARG THR GLU LEU TYR ARG SER LEU 0.403361 0.683333
85 TRP GLU GLU LEU 0.402062 0.679245
86 VAL THR THR ASP ILE GLN VAL LYS VAL 0.401869 0.854167
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA GLU LYS ASP GLU LEU; 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 : 6I6H; Ligand: ALA GLU LYS ASP GLU LEU; 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: 6i6h.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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