Receptor
PDB id Resolution Class Description Source Keywords
5MT9 1.88 Å NON-ENZYME: SIGNAL_HORMONE HUMAN INSULIN IN COMPLEX WITH SEROTONIN AND ARGININE HOMO SAPIENS HORMONE SEROTONIN ARGININE COMPLEX SPECIFICITY
Ref.: COMPUTATIONAL AND STRUCTURAL EVIDENCE FOR NEUROTRANSMITTER-MEDIATED MODULATION OF THE OLIGOME STATES OF HUMAN INSULIN IN STORAGE GRANULES. J. BIOL. CHEM. V. 292 8342 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRO O:101;
G:101;
I:101;
Q:101;
Y:101;
E:101;
K:101;
A:101;
S:101;
W:101;
M:101;
S:102;
C:101;
R:102;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 3.12 mM
176.215 C10 H12 N2 O c1cc2...
CL Z:101;
D:102;
B:102;
T:102;
F:102;
P:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
ZN B:101;
R:101;
F:101;
T:101;
H:101;
D:101;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ARG N:101;
L:101;
B:103;
F:103;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MT9 1.88 Å NON-ENZYME: SIGNAL_HORMONE HUMAN INSULIN IN COMPLEX WITH SEROTONIN AND ARGININE HOMO SAPIENS HORMONE SEROTONIN ARGININE COMPLEX SPECIFICITY
Ref.: COMPUTATIONAL AND STRUCTURAL EVIDENCE FOR NEUROTRANSMITTER-MEDIATED MODULATION OF THE OLIGOME STATES OF HUMAN INSULIN IN STORAGE GRANULES. J. BIOL. CHEM. V. 292 8342 2017
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5EMS - IPH C6 H6 O c1ccc(cc1)....
2 2OMI - RCO C6 H6 O2 c1cc(cc(c1....
3 2OM1 - RCO C6 H6 O2 c1cc(cc(c1....
4 4AJX - RCO C6 H6 O2 c1cc(cc(c1....
5 1QIY - IPH C6 H6 O c1ccc(cc1)....
6 2OLY - RCO C6 H6 O2 c1cc(cc(c1....
7 4E7V - CRS C7 H8 O Cc1cccc(c1....
8 1BEN - HBD C7 H7 N O2 c1cc(ccc1C....
9 5HPU - IPH C6 H6 O c1ccc(cc1)....
10 1EV3 - CRS C7 H8 O Cc1cccc(c1....
11 5UDP - IPH C6 H6 O c1ccc(cc1)....
12 5HRQ - IPH C6 H6 O c1ccc(cc1)....
13 1ZNJ - IPH C6 H6 O c1ccc(cc1)....
14 2OMG - CRS C7 H8 O Cc1cccc(c1....
15 1TYL - TYL C8 H9 N O2 CC(=O)Nc1c....
16 1MPJ - IPH C6 H6 O c1ccc(cc1)....
17 1ZEG - IPH C6 H6 O c1ccc(cc1)....
18 1ZEH - CRS C7 H8 O Cc1cccc(c1....
19 5MT9 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
20 2OM0 - RCO C6 H6 O2 c1cc(cc(c1....
21 1EV6 - CRS C7 H8 O Cc1cccc(c1....
22 5MAM Kd = 3.34 mM SRO C10 H12 N2 O c1cc2c(cc1....
23 1TYM - TYL C8 H9 N O2 CC(=O)Nc1c....
24 4AKJ - IPH C6 H6 O c1ccc(cc1)....
25 3GKY - IPH C6 H6 O c1ccc(cc1)....
26 1WAV - IPH C6 H6 O c1ccc(cc1)....
27 1LPH - IPH C6 H6 O c1ccc(cc1)....
28 1EVR - RCO C6 H6 O2 c1cc(cc(c1....
29 2OLZ - RCO C6 H6 O2 c1cc(cc(c1....
30 1QIZ - RCO C6 H6 O2 c1cc(cc(c1....
31 5MT3 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
32 1UZ9 - CRS C7 H8 O Cc1cccc(c1....
33 4AJZ - IPH C6 H6 O c1ccc(cc1)....
34 6CK2 - IPH C6 H6 O c1ccc(cc1)....
35 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
36 1Q4V - IPH C6 H6 O c1ccc(cc1)....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5EMS - IPH C6 H6 O c1ccc(cc1)....
2 2OMI - RCO C6 H6 O2 c1cc(cc(c1....
3 2OM1 - RCO C6 H6 O2 c1cc(cc(c1....
4 4AJX - RCO C6 H6 O2 c1cc(cc(c1....
5 1QIY - IPH C6 H6 O c1ccc(cc1)....
6 2OLY - RCO C6 H6 O2 c1cc(cc(c1....
7 4E7V - CRS C7 H8 O Cc1cccc(c1....
8 1BEN - HBD C7 H7 N O2 c1cc(ccc1C....
9 5HPU - IPH C6 H6 O c1ccc(cc1)....
10 1EV3 - CRS C7 H8 O Cc1cccc(c1....
11 5UDP - IPH C6 H6 O c1ccc(cc1)....
12 5HRQ - IPH C6 H6 O c1ccc(cc1)....
13 1ZNJ - IPH C6 H6 O c1ccc(cc1)....
14 2OMG - CRS C7 H8 O Cc1cccc(c1....
15 1TYL - TYL C8 H9 N O2 CC(=O)Nc1c....
16 1MPJ - IPH C6 H6 O c1ccc(cc1)....
17 1ZEG - IPH C6 H6 O c1ccc(cc1)....
18 1ZEH - CRS C7 H8 O Cc1cccc(c1....
19 5MT9 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
20 2OM0 - RCO C6 H6 O2 c1cc(cc(c1....
21 1EV6 - CRS C7 H8 O Cc1cccc(c1....
22 5MAM Kd = 3.34 mM SRO C10 H12 N2 O c1cc2c(cc1....
23 1TYM - TYL C8 H9 N O2 CC(=O)Nc1c....
24 4AKJ - IPH C6 H6 O c1ccc(cc1)....
25 3GKY - IPH C6 H6 O c1ccc(cc1)....
26 1WAV - IPH C6 H6 O c1ccc(cc1)....
27 1LPH - IPH C6 H6 O c1ccc(cc1)....
28 1EVR - RCO C6 H6 O2 c1cc(cc(c1....
29 2OLZ - RCO C6 H6 O2 c1cc(cc(c1....
30 1QIZ - RCO C6 H6 O2 c1cc(cc(c1....
31 5MT3 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
32 1UZ9 - CRS C7 H8 O Cc1cccc(c1....
33 4AJZ - IPH C6 H6 O c1ccc(cc1)....
34 6CK2 - IPH C6 H6 O c1ccc(cc1)....
35 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
36 1Q4V - IPH C6 H6 O c1ccc(cc1)....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 5EMS - IPH C6 H6 O c1ccc(cc1)....
2 2OMI - RCO C6 H6 O2 c1cc(cc(c1....
3 2OM1 - RCO C6 H6 O2 c1cc(cc(c1....
4 4AJX - RCO C6 H6 O2 c1cc(cc(c1....
5 1QIY - IPH C6 H6 O c1ccc(cc1)....
6 2OLY - RCO C6 H6 O2 c1cc(cc(c1....
7 4E7V - CRS C7 H8 O Cc1cccc(c1....
8 1BEN - HBD C7 H7 N O2 c1cc(ccc1C....
9 5HPU - IPH C6 H6 O c1ccc(cc1)....
10 1EV3 - CRS C7 H8 O Cc1cccc(c1....
11 5UDP - IPH C6 H6 O c1ccc(cc1)....
12 5HRQ - IPH C6 H6 O c1ccc(cc1)....
13 1ZNJ - IPH C6 H6 O c1ccc(cc1)....
14 2OMG - CRS C7 H8 O Cc1cccc(c1....
15 1TYL - TYL C8 H9 N O2 CC(=O)Nc1c....
16 1MPJ - IPH C6 H6 O c1ccc(cc1)....
17 1ZEG - IPH C6 H6 O c1ccc(cc1)....
18 1ZEH - CRS C7 H8 O Cc1cccc(c1....
19 5MT9 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
20 2OM0 - RCO C6 H6 O2 c1cc(cc(c1....
21 1EV6 - CRS C7 H8 O Cc1cccc(c1....
22 5MAM Kd = 3.34 mM SRO C10 H12 N2 O c1cc2c(cc1....
23 1TYM - TYL C8 H9 N O2 CC(=O)Nc1c....
24 4AKJ - IPH C6 H6 O c1ccc(cc1)....
25 3GKY - IPH C6 H6 O c1ccc(cc1)....
26 1WAV - IPH C6 H6 O c1ccc(cc1)....
27 1LPH - IPH C6 H6 O c1ccc(cc1)....
28 1EVR - RCO C6 H6 O2 c1cc(cc(c1....
29 2OLZ - RCO C6 H6 O2 c1cc(cc(c1....
30 1QIZ - RCO C6 H6 O2 c1cc(cc(c1....
31 5MT3 Kd = 3.12 mM SRO C10 H12 N2 O c1cc2c(cc1....
32 1UZ9 - CRS C7 H8 O Cc1cccc(c1....
33 4AJZ - IPH C6 H6 O c1ccc(cc1)....
34 6CK2 - IPH C6 H6 O c1ccc(cc1)....
35 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
36 1Q4V - IPH C6 H6 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SRO 1 1
2 ASE 0.581818 0.785714
3 TSS 0.48 0.823529
Ligand no: 2; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MT9; Ligand: ARG; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MT9; Ligand: ARG; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MT9; Ligand: ARG; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5MT9; Ligand: SRO; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5MT9; Ligand: SRO; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5MT9; Ligand: SRO; 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: 5mt9.bio1) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5mt9.bio2) has 126 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5mt9.bio2) has 333 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5mt9.bio2) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5mt9.bio2) has 192 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5mt9.bio2) has 333 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5mt9.bio2) has 305 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 5mt9.bio2) has 148 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 5mt9.bio2) has 278 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5mt9.bio2) has 318 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 5mt9.bio3) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 5mt9.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 5mt9.bio3) has 210 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 5mt9.bio3) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 5mt9.bio3) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 5mt9.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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