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 (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 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 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
35 1Q4V - IPH C6 H6 O c1ccc(cc1)....
70% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 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 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
35 1Q4V - IPH C6 H6 O c1ccc(cc1)....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 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 2OMH - RCO C6 H6 O2 c1cc(cc(c1....
35 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: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 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 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5mt9.bio2) has 123 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 5mt9.bio2) has 333 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RW3 TDA 0.01665 0.48354 None
2 2JHP GUN 0.04075 0.46367 None
3 4V3I ASP LEU THR ARG PRO 0.03681 0.46223 None
4 5B25 4QJ 0.0486 0.4343 19.0476
5 1TV5 N8E 0.01898 0.48273 23.8095
Pocket No.: 5; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5mt9.bio2) has 278 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5mt9.bio2) has 333 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 192 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 305 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 148 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5MT9; Ligand: ARG; Similar sites found: 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 278 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 6
This union binding pocket(no: 11) in the query (biounit: 5mt9.bio2) has 318 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RW3 TDA 0.02065 0.47127 None
2 4V3I ASP LEU THR ARG PRO 0.0245 0.4705 None
3 2JHP GUN 0.03935 0.46367 None
4 4XCP PLM 0.0423 0.45297 None
5 5B25 4QJ 0.04654 0.4343 19.0476
6 1TV5 N8E 0.01495 0.47667 23.8095
Pocket No.: 12; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5mt9.bio3) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 5mt9.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 6
This union binding pocket(no: 14) in the query (biounit: 5mt9.bio3) has 210 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.007374 0.44092 None
2 2QQD AG2 0.02615 0.40739 None
3 3HP9 CF1 0.03205 0.40725 None
4 3KYQ DPV 0.03391 0.40143 None
5 5MRH Q9Z 0.02123 0.40792 28.5714
6 4O4Z N2O 0.006822 0.44387 30
Pocket No.: 15; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5mt9.bio3) has 86 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 5MT9; Ligand: SRO; Similar sites found: 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 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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