Receptor
PDB id Resolution Class Description Source Keywords
5JCP 2.1 Å NON-ENZYME: OTHER RHOGAP DOMAIN OF ARAP3 IN COMPLEX WITH RHOA IN THE TRANSITIO HOMO SAPIENS, SYNTHETIC CONSTRUCT RHOA RHOGAP ARAP3 SIGNALING PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC RECOGNITION OF RH DUAL GTPASE-ACTIVATING PROTEIN ARAP3 J.BIOL.CHEM. V. 291 16709 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1202;
B:1202;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GDP ALF A:1201;
B:1201;
Valid;
Valid;
none;
none;
submit data
543.152 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JCP 2.1 Å NON-ENZYME: OTHER RHOGAP DOMAIN OF ARAP3 IN COMPLEX WITH RHOA IN THE TRANSITIO HOMO SAPIENS, SYNTHETIC CONSTRUCT RHOA RHOGAP ARAP3 SIGNALING PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC RECOGNITION OF RH DUAL GTPASE-ACTIVATING PROTEIN ARAP3 J.BIOL.CHEM. V. 291 16709 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5JCP - GDP ALF 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 1205 families.
1 5JCP - GDP ALF 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 1039 families.
1 5JCP - GDP ALF n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP ALF; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF GDP 1 1
2 GDP ALF 1 1
3 ALF 5GP 0.857143 1
4 GDP AF3 0.8 1
5 GDP 7MG 0.71 0.879518
6 G 0.701149 0.9
7 5GP 0.701149 0.9
8 GDP 0.7 0.888889
9 GP3 0.688889 0.86747
10 GNH 0.673913 0.878049
11 GP2 0.663043 0.857143
12 GTP 0.659574 0.888889
13 G1R 0.652632 0.878049
14 GCP 0.652632 0.86747
15 9GM 0.645833 0.86747
16 GNP 0.645833 0.86747
17 G2P 0.645833 0.857143
18 GSP 0.645833 0.847059
19 GMV 0.642105 0.890244
20 G G 0.640777 0.890244
21 GAV 0.632653 0.857143
22 G2R 0.613861 0.857143
23 GMP 0.593023 0.802469
24 GPG 0.592233 0.857143
25 G1R G1R 0.591667 0.869048
26 6CK 0.588785 0.903614
27 PGD O 0.586777 0.784946
28 GCP G 0.586538 0.8875
29 Y9Z 0.584906 0.808989
30 GKE 0.584906 0.857143
31 GDD 0.584906 0.857143
32 GDC 0.584906 0.857143
33 GTG 0.579439 0.858824
34 GDR 0.579439 0.857143
35 GFB 0.579439 0.857143
36 YGP 0.575472 0.827586
37 G3A 0.574074 0.86747
38 G5P 0.568807 0.86747
39 ALF ADP 0.565657 0.9125
40 ADP ALF 0.565657 0.9125
41 A G 0.564103 0.901235
42 GKD 0.563636 0.857143
43 JB2 0.563636 0.857143
44 U A G G 0.559322 0.901235
45 GDX 0.558559 0.86747
46 GPD 0.558559 0.827586
47 G A A A 0.550847 0.890244
48 G3D 0.54902 0.876543
49 FEG 0.543103 0.808989
50 G4P 0.538462 0.876543
51 ZGP 0.538462 0.8
52 3GP 0.536842 0.864198
53 JB3 0.534483 0.847059
54 NGD 0.529915 0.879518
55 0O2 0.518519 0.876543
56 U2G 0.516949 0.837209
57 2MD 0.516667 0.8
58 CAG 0.516393 0.811111
59 G U 0.512605 0.869048
60 CG2 0.508333 0.837209
61 G C 0.504132 0.869048
62 MGD 0.504065 0.8
63 MD1 0.5 0.8
64 DBG 0.492188 0.847059
65 2GP 0.489796 0.853659
66 PGD 0.488189 0.827586
67 TPG 0.48062 0.757895
68 FE9 0.480315 0.755102
69 GPX 0.477064 0.841463
70 DGI 0.471154 0.823529
71 G G G C 0.46875 0.858824
72 G G G RPC 0.467742 0.845238
73 A G C C 0.465116 0.879518
74 GH3 0.458716 0.865854
75 G4M 0.456522 0.791209
76 DG 0.455446 0.833333
77 DGP 0.455446 0.833333
78 BGO 0.455285 0.825581
79 DGT 0.453704 0.823529
80 APC G U 0.453125 0.855422
81 DG DG 0.451327 0.837209
82 G C C C 0.451128 0.869048
83 P2G 0.45098 0.807229
84 AKW 0.443548 0.818182
85 P1G 0.442308 0.797619
86 IDP 0.438095 0.864198
87 ADP PO3 0.438095 0.8375
88 GGM 0.433071 0.806818
89 A G U 0.432624 0.858824
90 IMP 0.431373 0.875
91 AF3 ADP 3PG 0.430894 0.902439
92 G1G 0.427481 0.848837
93 VO4 ADP 0.418182 0.829268
94 ADP VO4 0.418182 0.829268
95 A G U U 0.417808 0.858824
96 G U34 0.417323 0.858824
97 5GP 5GP 0.416667 0.851852
98 G7M 0.413462 0.890244
99 GPC 0.412214 0.872093
100 SGP 0.409524 0.758621
101 R7I 0.409091 0.841463
102 R5I 0.409091 0.841463
103 PCG 0.407407 0.851852
104 C2E 0.407407 0.841463
105 35G 0.407407 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JCP; Ligand: GDP ALF; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 5jcp.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4NCN GTP 3.34129
2 2C77 GNP 5.2506
3 2C78 GNP 5.2506
4 4RD0 GDP 6.74699
5 2BVN GNP 9.7852
6 5UWJ GNP 27.8481
7 5UWU GNP 27.8481
8 5UWW GNP 27.8481
9 5UWP GNP 27.8481
10 5UWI GNP 27.8481
11 5UWQ GNP 27.8481
12 5UWR GNP 27.8481
13 5UWO GNP 27.8481
14 5DHF GNP 27.8481
15 5UWS GNP 27.8481
16 6CIT GNP 27.8481
17 3M1I GTP 29.2237
18 4HAT GNP 30.5556
19 1IBR GNP 30.5556
20 5XC5 GTP 33.5227
21 5UWT GNP 34.7826
22 1J2J GTP 36.1446
23 5UWH GNP 36.3636
24 2WKQ GTP 37.3494
25 1WA5 GTP 37.5
26 1Z06 GNP 38.6243
27 3BC1 GNP 39.4872
28 1VG8 GNP 41.0628
29 1OIX GDP 42.9319
30 2BME GNP 43.0108
31 1YZN GNP 43.2432
32 1X1R GDP 44.9438
33 1Z0K GTP 45.9302
34 5OCG GNP 46.5608
35 5UQW GDP 46.5608
36 1EK0 GNP 47.0588
37 6BSX GDP 47.191
38 6BSX E7S 47.191
39 2HV8 GTP 47.6744
40 1TU3 GNP 47.9532
41 4C4P GNP 47.9769
42 3MJH GTP 48.2143
43 2D7C GTP 48.503
44 1YVD GNP 48.5207
45 1ZC3 GNP 48.5714
46 1YZQ GNP 48.8235
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