Receptor
PDB id Resolution Class Description Source Keywords
1SVK 2 Å EC: 3.6.1.46 STRUCTURE OF THE K180P MUTANT OF GI ALPHA SUBUNIT BOUND TO ALF4 AND GDP RATTUS NORVEGICUS GI ALPHA SUBUNIT K180P MUTATION ACTIVE FORM HYDROLASE SIGNALING PROTEIN
Ref.: UNCOUPLING CONFORMATIONAL CHANGE FROM GTP HYDROLYSIS IN A HETEROTRIMERIC G PROTEIN {ALPHA}-SUBUNIT. PROC.NATL.ACAD.SCI.USA V. 101 7560 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF GDP A:357;
Valid;
none;
Kd = 1.1 nM
543.152 n/a P(=O)...
MG A:356;
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
1SVK 2 Å EC: 3.6.1.46 STRUCTURE OF THE K180P MUTANT OF GI ALPHA SUBUNIT BOUND TO ALF4 AND GDP RATTUS NORVEGICUS GI ALPHA SUBUNIT K180P MUTATION ACTIVE FORM HYDROLASE SIGNALING PROTEIN
Ref.: UNCOUPLING CONFORMATIONAL CHANGE FROM GTP HYDROLYSIS IN A HETEROTRIMERIC G PROTEIN {ALPHA}-SUBUNIT. PROC.NATL.ACAD.SCI.USA V. 101 7560 2004
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GFI - ALF GDP n/a n/a
2 4N0E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4PAM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1AS0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 1GDD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 4PAO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
7 1BOF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4N0D - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
9 1SVS Kd = 2.3 nM GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1SVK Kd = 1.1 nM ALF GDP n/a n/a
11 1GIL - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 3FFA Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 1CIP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1GIA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
15 1AS3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 4PAN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 4PAQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GFI - ALF GDP n/a n/a
2 4N0E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4PAM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1AS0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 1GDD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 4PAO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
7 1BOF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4N0D - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
9 1SVS Kd = 2.3 nM GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1SVK Kd = 1.1 nM ALF GDP n/a n/a
11 1GIL - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 3FFA Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 1CIP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1GIA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
15 1AS3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 4PAN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 4PAQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 1TAG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 1TND - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
20 1TAD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1BH2 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GFI - ALF GDP n/a n/a
2 4N0E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4PAM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1AS0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 1GDD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 4PAO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
7 1BOF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4N0D - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
9 1SVS Kd = 2.3 nM GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1SVK Kd = 1.1 nM ALF GDP n/a n/a
11 1GIL - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 3FFA Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 1CIP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1GIA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
15 1AS3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 4PAN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 4PAQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 1TAG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 1TND - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
20 1TAD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1AZT - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
22 6AU6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1BH2 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
24 2XTZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
25 1ZCB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALF GDP; Similar ligands found: 110
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP ALF 1 1
2 ALF GDP 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 GCP 0.652632 0.86747
14 G1R 0.652632 0.878049
15 G2P 0.645833 0.857143
16 9GM 0.645833 0.86747
17 GNP 0.645833 0.86747
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 GDC 0.584906 0.857143
31 GKE 0.584906 0.857143
32 GDD 0.584906 0.857143
33 GDR 0.579439 0.857143
34 GTG 0.579439 0.858824
35 GFB 0.579439 0.857143
36 YGP 0.575472 0.827586
37 G3A 0.574074 0.86747
38 KB7 0.571429 0.77907
39 G5P 0.568807 0.86747
40 ALF ADP 0.565657 0.9125
41 ADP ALF 0.565657 0.9125
42 A G 0.564103 0.901235
43 JB2 0.563636 0.857143
44 GKD 0.563636 0.857143
45 U A G G 0.559322 0.901235
46 GDX 0.558559 0.86747
47 GPD 0.558559 0.827586
48 G A A A 0.550847 0.890244
49 G3D 0.54902 0.876543
50 FEG 0.543103 0.808989
51 ZGP 0.538462 0.8
52 G4P 0.538462 0.876543
53 3GP 0.536842 0.864198
54 JB3 0.534483 0.847059
55 NGD 0.529915 0.879518
56 KBD 0.518519 0.77907
57 0O2 0.518519 0.876543
58 U2G 0.516949 0.837209
59 2MD 0.516667 0.8
60 CAG 0.516393 0.811111
61 G U 0.512605 0.869048
62 CG2 0.508333 0.837209
63 G C 0.504132 0.869048
64 MGD 0.504065 0.8
65 KBJ 0.5 0.752809
66 MD1 0.5 0.8
67 DBG 0.492188 0.847059
68 2GP 0.489796 0.853659
69 PGD 0.488189 0.827586
70 TPG 0.48062 0.757895
71 FE9 0.480315 0.755102
72 GPX 0.477064 0.841463
73 DGI 0.471154 0.823529
74 G G G C 0.46875 0.858824
75 G G G RPC 0.467742 0.845238
76 A G C C 0.465116 0.879518
77 GH3 0.458716 0.865854
78 G4M 0.456522 0.791209
79 DG 0.455446 0.833333
80 DGP 0.455446 0.833333
81 BGO 0.455285 0.825581
82 DGT 0.453704 0.823529
83 APC G U 0.453125 0.855422
84 DG DG 0.451327 0.837209
85 G C C C 0.451128 0.869048
86 P2G 0.45098 0.807229
87 AKW 0.443548 0.818182
88 P1G 0.442308 0.797619
89 ATP MG 0.438095 0.8375
90 ADP PO3 0.438095 0.8375
91 IDP 0.438095 0.864198
92 GGM 0.433071 0.806818
93 A G U 0.432624 0.858824
94 IMP 0.431373 0.875
95 AF3 ADP 3PG 0.430894 0.902439
96 G1G 0.427481 0.848837
97 ADP MG 0.427184 0.8375
98 ADP VO4 0.418182 0.829268
99 VO4 ADP 0.418182 0.829268
100 A G U U 0.417808 0.858824
101 G U34 0.417323 0.858824
102 5GP 5GP 0.416667 0.851852
103 G7M 0.413462 0.890244
104 GPC 0.412214 0.872093
105 SGP 0.409524 0.758621
106 R7I 0.409091 0.841463
107 R5I 0.409091 0.841463
108 PCG 0.407407 0.851852
109 C2E 0.407407 0.841463
110 35G 0.407407 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SVK; Ligand: ALF GDP; Similar sites found with APoc: 27
This union binding pocket(no: 1) in the query (biounit: 1svk.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5W75 GDP 3.11615
2 5H7K GDP 3.39943
3 6JFK GDP 3.96601
4 1KK1 GNP 5.38244
5 3U6B GDP 5.58376
6 1SKQ GDP 5.94901
7 2Y8E GNP 6.70391
8 5BXQ GDP 7.40741
9 5BXQ GDP 7.40741
10 5BXQ GDP 7.40741
11 1S8F GDP 7.9096
12 2FH5 GTP 7.94393
13 1KAO GDP 8.98204
14 3GJ7 GDP 9.95475
15 3GJ5 GDP 9.95475
16 6IYB GTP 11.0553
17 1VG1 GDP 11.8919
18 1Z0A GDP 12.069
19 3T12 GDP ALF 17.6768
20 4GOJ GNP 20.6349
21 5DI3 GNP 24.3243
22 5DI3 GNP 24.3243
23 2A5F GTP 28.5714
24 4KAX GTP 28.9941
25 1R4A GNP 29.0909
26 2W83 GTP 29.697
27 3PCR GTP 30.8642
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