Receptor
PDB id Resolution Class Description Source Keywords
6EOP 2.4 Å EC: 3.4.14.5 DPP8 - SLRFLYEG, SPACE GROUP 20 HOMO SAPIENS DPP8 HYDROLASE
Ref.: STRUCTURES AND MECHANISM OF DIPEPTIDYL PEPTIDASES 8 IMPORTANT PLAYERS IN CELLULAR HOMEOSTASIS AND CANCE PROC. NATL. ACAD. SCI. V. 115 E1437 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F15 D:101;
F:101;
E:101;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
242.397 C15 H30 O2 CCCCC...
SER LEU ARG PHE LEU TYR GLU GLY F:10;
E:10;
D:10;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.014;
Atoms found LESS than expected: % Diff = 0.014;
Atoms found LESS than expected: % Diff = 0.014;
submit data
969.131 n/a O=C(N...
CA B:901;
A:902;
C:901;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FLC A:901;
Invalid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EOP 2.4 Å EC: 3.4.14.5 DPP8 - SLRFLYEG, SPACE GROUP 20 HOMO SAPIENS DPP8 HYDROLASE
Ref.: STRUCTURES AND MECHANISM OF DIPEPTIDYL PEPTIDASES 8 IMPORTANT PLAYERS IN CELLULAR HOMEOSTASIS AND CANCE PROC. NATL. ACAD. SCI. V. 115 E1437 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6EOP - SER LEU ARG PHE LEU TYR GLU GLY 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 2 families.
1 6EOP - SER LEU ARG PHE LEU TYR GLU GLY 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 2 families.
1 6EOP - SER LEU ARG PHE LEU TYR GLU GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F15; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Ligand no: 2; Ligand: SER LEU ARG PHE LEU TYR GLU GLY; Similar ligands found: 184
No: Ligand ECFP6 Tc MDL keys Tc
1 SER LEU ARG PHE LEU TYR GLU GLY 1 1
2 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.686567 0.951613
3 PHE ARG TYR LEU GLY 0.675439 0.933333
4 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.643411 0.888889
5 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.601626 0.887097
6 SER GLU LEU GLU ILE LYS ARG TYR 0.6 0.904762
7 ALA ARG THR GLU LEU TYR ARG SER LEU 0.596899 0.919355
8 PHE TYR ARG ALA LEU MET 0.59375 0.84375
9 LEU GLU PHE GLN GLY 0.589286 0.716667
10 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.585714 0.934426
11 SER GLU ILE GLU PHE ALA ARG LEU 0.584615 0.868852
12 GLU LEU ARG ARG LYS MET MET TYR MET 0.581395 0.791045
13 ASP ALA GLU PHE ARG HIS ASP 0.57377 0.783333
14 SER SER ILE GLU PHE ALA ARG LEU 0.571429 0.854839
15 SER ASP TYR GLN ARG LEU 0.561983 0.9
16 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.560606 0.918033
17 SER SER ARG LYS GLU TYR TYR ALA 0.557377 0.854839
18 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.553957 0.901639
19 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.550725 0.901639
20 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.544118 0.822581
21 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.540146 0.857143
22 ARG GLY TYR LEU TYR GLN GLY LEU 0.538462 0.933333
23 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.531915 0.918033
24 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.529851 0.836066
25 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.529801 0.855072
26 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.52518 0.854839
27 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.525 0.790323
28 GLU LEU LYS ARG LYS MET ILE TYR MET 0.521127 0.791045
29 GLY ASN PHE LEU GLN SER ARG 0.515152 0.870968
30 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.514286 0.870968
31 GLU ASN LEU TYR PHE GLN 0.512 0.786885
32 ASP ALA GLU PHE ARG HIS ASP SER 0.510949 0.716418
33 GLU LEU LYS TPO GLU ARG TYR 0.510638 0.785714
34 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.51049 0.84127
35 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.507692 0.774194
36 ALA THR ARG ASN PHE SER GLY 0.507692 0.83871
37 GLU THR VAL ARG PHE GLN SER ASP 0.507246 0.883333
38 SER HIS PHE ASN GLU TYR GLU 0.507246 0.720588
39 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.506329 0.814286
40 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.5 0.741935
41 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.5 0.883333
42 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.5 0.816667
43 PHE LEU SER TYR LYS 0.496 0.852459
44 THR ASN GLU PHE TYR PHE 0.495726 0.704918
45 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.492424 0.793651
46 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.492424 0.822581
47 GLY GLY LYS LYS ARG TYR LYS LEU 0.492308 0.870968
48 GLY GLY ARG LYS LYS TYR LYS LEU 0.492308 0.870968
49 GLY GLY LYS LYS LYS TYR ARG LEU 0.492308 0.870968
50 GLU LEU ASN ARG LYS MET ILE TYR MET 0.490066 0.808824
51 GLU ASN GLN LYS GLU TYR PHE PHE 0.488189 0.746032
52 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.486486 0.838235
53 LEU GLU LYS ALA ARG GLY SER THR TYR 0.483444 0.920635
54 THR TYR LYS PHE PHE GLU GLN 0.480315 0.790323
55 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.480315 0.790323
56 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.479452 0.73913
57 VAL ALA PHE ARG SER 0.475806 0.8
58 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.472973 0.935484
59 ASP PHE GLU ASP TYR GLU PHE ASP 0.471545 0.698413
60 THR PHE GLN ALA PSA LEU ARG GLU 0.470199 0.903226
61 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.469799 0.714286
62 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.469799 0.78125
63 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.469697 0.857143
64 THR ASN GLU PHE TYR ALA 0.468254 0.741935
65 ARG ARG LEU ILE PHE NH2 0.468254 0.725806
66 ARG VAL LEU PHE GLU ALA MET 0.468085 0.727273
67 GLU GLN TYR LYS PHE TYR SER VAL 0.466667 0.83871
68 SER ILE ILE ASN PHE GLU LYS LEU 0.463768 0.734375
69 ALA GLN PHE SER ALA SER ALA SER ARG 0.461538 0.836066
70 SER ARG TYR TRP ALA ILE ARG THR ARG 0.461538 0.826087
71 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.460993 0.758065
72 PHE LEU ALA TYR LYS 0.460938 0.786885
73 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.460432 0.920635
74 PHQ LEU VAL ARG TYR 0.459259 0.873016
75 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.459119 0.746479
76 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.457317 0.696203
77 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.456522 0.803279
78 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.456376 0.681159
79 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.455172 0.868852
80 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.454545 0.774194
81 ARG GLY TYR VAL TYR GLN GLY LEU 0.453901 0.933333
82 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.453846 0.806452
83 SER PHE ALA ASN GLY 0.453782 0.677419
84 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.452555 0.836066
85 GLU LEU ASP LYS TYR ALA SER 0.451852 0.806452
86 SER ILE ILE GLY PHE GLU LYS LEU 0.45 0.774194
87 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.449367 0.704225
88 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.448819 0.75
89 SER GLN TYR TYR TYR ASN SER LEU 0.448819 0.822581
90 THR ASN GLU TYR LYS VAL 0.445312 0.774194
91 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.445205 0.77027
92 PRO LEU GLU PSA ARG LEU 0.442177 0.818182
93 ALA LYS PHE ARG HIS ASP 0.442029 0.705882
94 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.441379 0.8
95 ASP ALA ASP GLU TYR LEU 0.440945 0.721311
96 SER SER TYR ARG ARG PRO VAL GLY ILE 0.43871 0.77027
97 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.438272 0.764706
98 BP4 CYS DAR TYR PEA 0.437956 0.83871
99 ALA THR VAL ARG THR TYR SER CYS 0.437956 0.887097
100 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.435714 0.819672
101 ARG THR PHE SER PRO THR TYR GLY LEU 0.433962 0.833333
102 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.433735 0.716216
103 ACE ILE TYR GLU SER LEU 0.433071 0.786885
104 GLY ARG PHE GLN VAL THR 0.432836 0.833333
105 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.432 0.770492
106 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.432 0.672131
107 SER LEU TYR LEU THR VAL ALA THR LEU 0.431818 0.754098
108 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.431507 0.652174
109 ACE ALA ARG THR GLU VAL TYR NH2 0.430657 0.916667
110 ARG ARG PHE AIB ALA MET LEU ALA 0.430556 0.691176
111 LEU PRO PHE GLU ARG ALA THR VAL MET 0.430303 0.710526
112 THR ASN GLU TYR TYR VAL 0.429752 0.754098
113 ASP ASP LEU TYR GLY 0.429752 0.770492
114 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.429379 0.710526
115 ALA PHE ARG ILE PRO LEU THR ARG 0.428571 0.716216
116 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.427673 0.838235
117 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.426829 0.773333
118 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.426752 0.723684
119 PRO GLU SEP LEU GLU SER CYS PHE 0.426471 0.666667
120 ARG LEU TRP SER 0.425373 0.787879
121 LEU PRO PHE GLU ARG ALA THR ILE MET 0.42515 0.701299
122 THR TYR PHE ALA VAL LEU MET VAL SER 0.424658 0.765625
123 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.423611 0.806452
124 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.423529 0.783784
125 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.423313 0.767123
126 SER ARG LYS ILE ASP ASN LEU ASP 0.422535 0.784615
127 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.42236 0.712329
128 ARG LEU GLY GLU SER 0.422018 0.716667
129 ARG ILE PHE SER 0.421875 0.786885
130 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.421687 0.734177
131 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.42069 0.794118
132 ACE PHE ALA TYR M3L SER NH2 0.419847 0.71831
133 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.419355 0.714286
134 ARG TYR GLY PHE VAL ALA ASN PHE 0.418919 0.934426
135 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.41875 0.763889
136 GLY ASP GLU VAL LYS VAL PHE ARG 0.417808 0.790323
137 PCA PHE ARG HIS ASP SER 0.417808 0.731343
138 TYR GLY GLY PHE LEU 0.417323 0.786885
139 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.417266 0.786885
140 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.417178 0.838235
141 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.416667 0.716216
142 LEU SER PRO ASP SER PHE LEU ASN ASP 0.415929 0.683333
143 THR LYS ASN TYR LYS GLN PHE SER VAL 0.414286 0.825397
144 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.413793 0.684932
145 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.413174 0.72
146 ARG HIS LYS ALY LEU MET PHE LYS 0.412903 0.643836
147 TYR HIS SEP VAL VAL ARG TYR ALA 0.412903 0.733333
148 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.411348 0.803279
149 THR ASN GLU PHE ALA PHE 0.41129 0.639344
150 CYS THR GLU LEU LYS LEU SER ASP TYR 0.410959 0.809524
151 ASP PHE GLU GLU ILE 0.409836 0.639344
152 ASP GLU LEU GLU ILE LYS ALA TYR 0.409722 0.761905
153 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.409091 0.672131
154 GLY LEU MET TRP LEU SER TYR PHE VAL 0.409091 0.757143
155 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.408537 0.777778
156 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.408537 0.777778
157 VAL MET ALA PRO ARG THR LEU PHE LEU 0.407407 0.688312
158 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.407143 0.786885
159 SER LEU PHE ASN THR VAL ALA THR LEU 0.407143 0.709677
160 SER LEU TYR ASN THR VAL ALA THR LEU 0.407143 0.758065
161 SER LEU LEU LYS LYS LEU LEU ASP 0.40678 0.698413
162 ASP SEP TYR GLU VAL LEU ASP LEU 0.406667 0.705882
163 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.406667 0.746269
164 GLU ILE ILE ASN PHE GLU LYS LEU 0.405594 0.6875
165 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.405229 0.776119
166 ASN ARG LEU LEU LEU THR GLY 0.404959 0.803279
167 GLU VAL TYR GLU SER 0.404762 0.766667
168 SER LEU TYR ASN VAL VAL ALA THR LEU 0.404255 0.758065
169 SER LEU TYR ASN THR ILE ALA THR LEU 0.404255 0.761905
170 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.40411 0.78125
171 ALA ARG THR MLY GLN THR ALA ARG TYR 0.40411 0.8
172 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.403846 0.662162
173 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.403727 0.753623
174 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.402878 0.753623
175 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.402516 0.710145
176 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.402439 0.69863
177 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401575 0.733333
178 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.401575 0.733333
179 PTR LEU ARG VAL ALA 0.40146 0.75
180 TYR SER THR CYS TYR PHE ILE MET 0.401408 0.727273
181 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.401274 0.680556
182 THR ARG ARG GLU THR GLN LEU 0.4 0.806452
183 GLY ASN TYR SER PHE TYR ALA LEU 0.4 0.822581
184 GLY GLY LYS LYS LYS TYR GLN LEU 0.4 0.774194
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EOP; Ligand: F15; 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: 6eop.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6EOP; Ligand: F15; 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: 6eop.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6EOP; Ligand: SER LEU ARG PHE LEU TYR GLU GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6eop.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6EOP; Ligand: SER LEU ARG PHE LEU TYR GLU GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6eop.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6EOP; Ligand: F15; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6eop.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6EOP; Ligand: F15; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6eop.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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