Receptor
PDB id Resolution Class Description Source Keywords
5GS9 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CASTOR1-ARGININE HOMO SAPIENS ARGININE BINDING SIGNALING PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE ARGININE-BINDING SPECIF CASTOR1 IN AMINO ACID-DEPENDENT MTORC1 SIGNALING CELL DISCOV V. 2 16035 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG B:401;
A:401;
C:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 5.5 uM
175.209 C6 H15 N4 O2 C(C[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GS9 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CASTOR1-ARGININE HOMO SAPIENS ARGININE BINDING SIGNALING PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE ARGININE-BINDING SPECIF CASTOR1 IN AMINO ACID-DEPENDENT MTORC1 SIGNALING CELL DISCOV V. 2 16035 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5GS9 Kd = 5.5 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 5I2C - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5GS9 Kd = 5.5 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 5I2C - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5GS9 Kd = 5.5 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 5I2C - ARG C6 H15 N4 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 5GS9; Ligand: ARG; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 5gs9.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CJU PHX 0.005903 0.43042 None
2 3NIP 16D 0.0145 0.4084 1.53374
3 1SQL GUN 0.009383 0.41892 2.05479
4 3WGT FAD 0.04945 0.4007 2.07715
5 5JKG 6LF 0.03336 0.40013 2.2508
6 5F90 LMR 0.01626 0.41028 2.5641
7 4UXU MLK 0.01601 0.42088 2.75229
8 3R4S SIA 0.007412 0.42916 2.96736
9 1SBR VIB 0.004287 0.43326 4
10 4OYA 1VE 0.04912 0.4087 5.04451
11 2QLU ADE 0.007157 0.43343 5.41401
12 4D42 W0I 0.04347 0.40506 6.02837
13 4D42 NAP 0.04347 0.40506 6.02837
14 1WLJ U5P 0.01387 0.41873 6.34921
15 3IES M24 0.01911 0.41009 7.12166
16 4J4H 1J1 0.0414 0.40395 8.49421
17 4J4H NAI 0.0414 0.40395 8.49421
18 4M6T SAM 0.02908 0.40091 9.49555
19 5G5G FAD 0.03011 0.40697 9.60699
20 1N62 FAD 0.03053 0.40397 10.241
21 2DT9 THR 0.0001095 0.50545 14.9701
22 3AB4 LYS 0.000008055 0.5445 21.9101
23 3AB4 THR 0.0002226 0.4905 21.9101
24 2DTJ THR 0.0001722 0.48934 21.9101
Pocket No.: 2; Query (leader) PDB : 5GS9; Ligand: ARG; 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: 5gs9.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5GS9; Ligand: ARG; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 5gs9.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AWN ADP 0.03052 0.40371 2.67062
2 2XMY CDK 0.01009 0.44485 3.3557
3 4IP7 FBP 0.00458 0.4154 7.12166
4 3GCM 5GP 0.03375 0.40564 9.7561
5 4BGB ADP 0.01055 0.40472 9.84615
Pocket No.: 4; Query (leader) PDB : 5GS9; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5gs9.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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