Receptor
PDB id Resolution Class Description Source Keywords
1TX4 1.65 Å EC: 3.-.-.- RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX HOMO SAPIENS COMPLEX (GTPASE ACTIVATION/PROTO-ONCOGENE) GTPASE TRANSITION STATE GAP COMPLEX(GTPASE ACTIVATN/PROTO- ONCOGENE) COMPLEX
Ref.: STRUCTURE AT 1.65 A OF RHOA AND ITS GTPASE-ACTIVATING PROTEIN IN COMPLEX WITH A TRANSITION-STATE ANALOGUE. NATURE V. 389 758 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF GDP B:682;
Valid;
none;
submit data
543.152 n/a P(=O)...
MG B:681;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TX4 1.65 Å EC: 3.-.-.- RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX HOMO SAPIENS COMPLEX (GTPASE ACTIVATION/PROTO-ONCOGENE) GTPASE TRANSITION STATE GAP COMPLEX(GTPASE ACTIVATN/PROTO- ONCOGENE) COMPLEX
Ref.: STRUCTURE AT 1.65 A OF RHOA AND ITS GTPASE-ACTIVATING PROTEIN IN COMPLEX WITH A TRANSITION-STATE ANALOGUE. NATURE V. 389 758 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1TX4 - ALF GDP 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 209 families.
1 1TX4 - ALF GDP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 1TX4 - ALF GDP n/a n/a
2 1GRN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALF GDP; 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 : 1TX4; Ligand: ALF GDP; Similar sites found with APoc: 64
This union binding pocket(no: 1) in the query (biounit: 1tx4.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2BVN GNP 3.9548
2 2FH5 GTP 4.51977
3 1YRB GDP 7.34463
4 3U6B GDP 7.9096
5 4RD0 GDP 8.47458
6 4DCT GDP 8.47458
7 5FG3 GDP 22.2222
8 4NCN GTP 25.9887
9 4TMZ GSP 25.9887
10 1FQJ ALF 34.4633
11 3M1I GTP 36.1582
12 3WYF GTP 36.1582
13 3WYG GTP 36.1582
14 3GJX GTP 36.7232
15 5DIF GNP 37.2881
16 5UWU GNP 37.2881
17 5UWP GNP 37.2881
18 4HAT GNP 37.2881
19 5UWI GNP 37.2881
20 5UWQ GNP 37.2881
21 5UWO GNP 37.2881
22 5UWR GNP 37.2881
23 5UWT GNP 37.2881
24 5UWW GNP 37.2881
25 5UWS GNP 37.2881
26 6CIT GNP 37.2881
27 5DHF GNP 37.2881
28 5UWH GNP 37.2881
29 5UWJ GNP 37.2881
30 5DI9 GNP 37.2881
31 1WA5 GTP 37.5
32 1Z06 GNP 41.2429
33 3Q72 GNP 42.1687
34 3BC1 GNP 43.5028
35 2BME GNP 45.1977
36 1YZN GNP 45.1977
37 1X1R GDP 45.1977
38 4D0G GTP 45.7143
39 1Z0K GTP 45.9302
40 1OIX GDP 46.3277
41 5LEF GTP 46.8927
42 4LX0 BEF GDP 46.8927
43 1EK0 GNP 47.0588
44 1VG1 GDP 47.4576
45 1S8F GDP 47.4576
46 1VG8 GNP 47.4576
47 1Z0J GTP 47.6471
48 1TU3 GNP 47.9532
49 3NKV GNP 48
50 5SZH GNP 48.0226
51 3TKL GTP 48.0226
52 5TB5 GDP 48.1081
53 1D5C GDP 48.1481
54 3MJH GTP 48.2143
55 1R2Q GNP 48.2353
56 1Z0A GDP 48.2759
57 1YVD GNP 48.5207
58 1ZC3 GNP 48.5714
59 2Y8E GNP 48.5876
60 1YZQ GNP 48.8235
61 1UAD GNP 49.1429
62 1KY3 GDP 49.1525
63 5WDR GNP 49.7076
64 5OCG GNP 49.7175
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