Receptor
PDB id Resolution Class Description Source Keywords
3FFA 2.3 Å EC: 3.6.1.46 CRYSTAL STRUCTURE OF A FAST ACTIVATING G PROTEIN MUTANT RATTUS NORVEGICUS GI-ALPHA-1 MUTANT PROTEIN GTP-GAMMA-S BOUND GTP-BINDING LIPOPROTEIN MYRISTATE NUCLEOTIDE-BINDING PALMITATE TRANSDUCER SIGNAL TRANSDUCTION SIGNALING PROTEIN
Ref.: STRUCTURAL EVIDENCE FOR A SEQUENTIAL RELEASE MECHANISM FOR ACTIVATION OF HETEROTRIMERIC G PROTEINS. J.MOL.BIOL. V. 393 882 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSP A:1;
Valid;
none;
Kd = 0.69 uM
539.246 C10 H16 N5 O13 P3 S c1nc2...
MG A:349;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:350;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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: GSP; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 GSP 1 1
2 GP3 0.897436 0.925
3 GTP 0.853659 0.948718
4 GNH 0.829268 0.936709
5 GDP 0.817073 0.948718
6 G1R 0.8 0.936709
7 GCP 0.77907 0.925
8 GNP 0.770115 0.925
9 9GM 0.770115 0.925
10 GMV 0.767442 0.925
11 G 0.756098 0.935897
12 5GP 0.756098 0.935897
13 G2R 0.747253 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GKE 0.744681 0.91358
17 GPG 0.73913 0.91358
18 GTG 0.736842 0.891566
19 G3A 0.729167 0.925
20 G5P 0.721649 0.925
21 GDR 0.71875 0.91358
22 GFB 0.71875 0.91358
23 GAV 0.714286 0.987179
24 GP2 0.712644 0.91358
25 6CK 0.71134 0.891566
26 Y9Z 0.708333 0.860465
27 JB2 0.69697 0.91358
28 GKD 0.69697 0.91358
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 ALF 5GP 0.67033 0.847059
33 0O2 0.666667 0.935897
34 YGP 0.663265 0.858824
35 JB3 0.657143 0.902439
36 GDP ALF 0.645833 0.847059
37 GDP AF3 0.645833 0.847059
38 ALF GDP 0.645833 0.847059
39 GMP 0.641975 0.835443
40 G3D 0.638298 0.935897
41 NGD 0.635514 0.91358
42 2MD 0.633027 0.894118
43 CAG 0.630631 0.840909
44 G4P 0.625 0.935897
45 FEG 0.62037 0.83908
46 U2G 0.62037 0.891566
47 G G 0.617647 0.901235
48 MGD 0.616071 0.894118
49 ZGP 0.614679 0.872093
50 CG2 0.609091 0.891566
51 TPG 0.598291 0.804348
52 3GP 0.595506 0.898734
53 GDP 7MG 0.590476 0.86747
54 GH3 0.581633 0.924051
55 PGD 0.581197 0.926829
56 MD1 0.581197 0.894118
57 2GP 0.577778 0.911392
58 GCP G 0.563107 0.875
59 DGT 0.561224 0.878049
60 DBG 0.558333 0.902439
61 G1G 0.550847 0.880952
62 AGS 0.547368 0.924051
63 SAP 0.547368 0.924051
64 FE9 0.546219 0.8
65 A G 0.543103 0.888889
66 G4M 0.539062 0.840909
67 U A G G 0.538462 0.888889
68 G A A A 0.529915 0.878049
69 MGP 0.525253 0.91358
70 GPX 0.524272 0.898734
71 BGO 0.521739 0.879518
72 DGI 0.520408 0.878049
73 6G0 0.52 0.91358
74 IDP 0.515464 0.923077
75 R7I 0.51 0.898734
76 R5I 0.51 0.898734
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 AKW 0.495726 0.915663
81 G U 0.491525 0.857143
82 GTA 0.486726 0.891566
83 P2G 0.484536 0.839506
84 GPC 0.483607 0.83908
85 G C 0.483333 0.857143
86 P1G 0.474747 0.829268
87 DG 0.474227 0.865854
88 DGP 0.474227 0.865854
89 BA3 0.46875 0.85
90 IMP 0.463918 0.910256
91 B4P 0.463918 0.85
92 AP5 0.463918 0.85
93 G2Q 0.462963 0.91358
94 G G G RPC 0.459016 0.833333
95 APC G U 0.456 0.843373
96 ATP 0.45 0.873418
97 HEJ 0.45 0.873418
98 G G G C 0.448819 0.869048
99 A2D 0.447917 0.85
100 5FA 0.445545 0.873418
101 AQP 0.445545 0.873418
102 A G C C 0.445312 0.86747
103 G7M 0.444444 0.901235
104 G U34 0.442623 0.847059
105 01G 0.442478 0.860465
106 ITT 0.44 0.825
107 SGP 0.44 0.876543
108 HFD 0.436893 0.831325
109 G C C C 0.431818 0.879518
110 AT4 0.43 0.911392
111 AN2 0.43 0.8625
112 DG DG 0.428571 0.825581
113 A4P 0.42623 0.829545
114 UCG 0.424242 0.86747
115 PCG 0.423077 0.886076
116 C2E 0.423077 0.875
117 35G 0.423077 0.886076
118 MGO 0.420561 0.823529
119 ADP 0.42 0.873418
120 ANP 0.419048 0.851852
121 5GP 5GP 0.419048 0.839506
122 ADQ 0.418182 0.829268
123 7DT 0.417476 0.860759
124 AR6 0.417476 0.85
125 APR 0.417476 0.85
126 PRT 0.417391 0.910256
127 C1Z 0.415929 0.935897
128 A G U 0.414286 0.847059
129 AD9 0.413462 0.851852
130 UP5 0.413223 0.831325
131 A22 0.412844 0.8625
132 25L 0.412281 0.8625
133 M33 0.411765 0.839506
134 JBT 0.410405 0.783505
135 ACP 0.407767 0.851852
136 6YZ 0.407407 0.851852
137 ACQ 0.40566 0.851852
138 A1R 0.405405 0.8
139 A G U U 0.4 0.847059
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: 21
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 1KK1 GNP 5.38244
4 3U6B GDP 5.58376
5 1SKQ GDP 5.94901
6 2Y8E GNP 6.70391
7 5BXQ GDP 7.40741
8 1S8F GDP 7.9096
9 2FH5 GTP 7.94393
10 1KAO GDP 8.98204
11 3GJ7 GDP 9.95475
12 3GJ5 GDP 9.95475
13 1VG1 GDP 11.8919
14 1Z0A GDP 12.069
15 3T12 GDP ALF 17.6768
16 4GOJ GNP 20.6349
17 5DI3 GNP 24.3243
18 2A5F GTP 28.5714
19 4KAX GTP 28.9941
20 1R4A GNP 29.0909
21 3PCR GTP 30.8642
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