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Receptor
PDB id Resolution Class Description Source Keywords
5I2C 1.8 Å NON-ENZYME: OTHER ARGININE-BOUND CASTOR1 FROM HOMO SAPIENS HOMO SAPIENS SIGNALING ARGININE ACT MTOR SIGNALING PROTEIN
Ref.: MECHANISM OF ARGININE SENSING BY CASTOR1 UPSTREAM O NATURE V. 536 229 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;
submit data
175.209 C6 H15 N4 O2 C(C[C...
ACT C:402;
A:402;
D:402;
B:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
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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 1443 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 1205 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 1039 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: 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 : 5GS9; Ligand: ARG; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 5gs9.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2CJU PHX None
2 2UXR ICT 1.48368
3 3NIP 16D 1.53374
4 2UUU FAD 1.5411
5 4ONA UW1 1.78042
6 1J0D 5PA 1.78042
7 4B2D FBP 1.78042
8 1SQL GUN 2.05479
9 2JC9 ADN 2.07715
10 1F9V ADP 2.07715
11 3WGT FAD 2.07715
12 5JKG 6LF 2.2508
13 6APV 3L4 2.31481
14 5F90 LMR 2.5641
15 2J5V PCA 2.7248
16 4UXU MLK 2.75229
17 3G5N PB2 2.96736
18 3R4S SIA 2.96736
19 4B9E FAH 3.32226
20 3WBF API 3.93443
21 3WBF NAP 3.93443
22 3CTR MGP 3.9604
23 1SBR VIB 4
24 1USR SIA 4.1543
25 1QH8 HCA 4.1543
26 3WW2 SF9 4.29688
27 3U7Q HCA 4.45104
28 3LXK MI1 4.58716
29 4OYA 1VE 5.04451
30 5WS9 AMP 5.04451
31 2GAG FAD 5.05051
32 5YB7 ORN 5.34125
33 5YB7 FAD 5.34125
34 4WES HCA 5.34125
35 1T3Q FAD 5.35714
36 2QLU ADE 5.41401
37 5F3I 5UJ 5.63798
38 1ZX5 LFR 5.66667
39 1LVW TYD 5.76271
40 4D42 W0I 6.02837
41 4D42 NAP 6.02837
42 1WLJ U5P 6.34921
43 1XVB BHL 6.47059
44 5T63 ALA ALA ALA ALA 6.52819
45 3GVL SLB SIA 6.52819
46 4IP7 FBP 7.12166
47 3IES M24 7.12166
48 6F5W KG1 7.4184
49 5FII PHE 7.84314
50 4J4H NAI 8.49421
51 4J4H 1J1 8.49421
52 4M6T SAM 9.49555
53 5G5G FAD 9.60699
54 3HRD FAD 9.7973
55 1I2L DCS 10.0372
56 1N62 FAD 10.241
57 1FFU FAD 11.0429
58 6FX2 FUC C4W NAG BMA MAN NAG GAL 13.9535
59 2DT9 THR 14.9701
60 3AB4 LYS 21.9101
61 2DTJ THR 21.9101
62 3AB4 THR 21.9101
63 3IWD M2T 25.8065
Pocket No.: 2; Query (leader) PDB : 5GS9; Ligand: ARG; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 5gs9.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5F90 GLA GAL 2.5641
2 1NXJ GLV 2.73224
3 5K4W THR 3.73832
4 2IID PHE 8.01187
5 2IID FAD 8.01187
6 4UCC ZKW 8.01187
7 4ZOH FAD 17.5074
Pocket No.: 3; Query (leader) PDB : 5GS9; Ligand: ARG; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 5gs9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2AWN ADP 2.67062
2 1COY FAD 3.2641
3 1COY AND 3.2641
4 2XMY CDK 3.3557
5 2VL1 GLY GLY 3.85757
6 2GJN NIS 3.96341
7 1USR SIA WIA 4.1543
8 4GLW NMN 4.2623
9 3GCM 5GP 9.7561
10 4BGB ADP 9.84615
11 5T9F TYR 23.9852
Pocket No.: 4; Query (leader) PDB : 5GS9; Ligand: ARG; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 5gs9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z9I GLY ALA THR VAL 1.85185
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