Receptor
PDB id Resolution Class Description Source Keywords
1TAD 1.7 Å EC: 3.-.-.- GTPASE MECHANISM OF GPROTEINS FROM THE 1.7-ANGSTROM CRYSTAL OF TRANSDUCIN ALPHA-GDP-ALF4- BOS TAURUS GTP-BINDING PROTEIN G-PROTEIN GTPASE TRANSDUCIN
Ref.: GTPASE MECHANISM OF GPROTEINS FROM THE 1.7-A CRYSTA STRUCTURE OF TRANSDUCIN ALPHA-GDP-AIF-4. NATURE V. 372 276 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF C:355;
Valid;
none;
submit data
102.975 Al F4 F[Al-...
ALF GDP A:355;
B:355;
Invalid;
Invalid;
none;
none;
submit data
543.152 n/a P(=O)...
CA A:352;
B:352;
C:352;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CAC A:353;
A:354;
B:353;
B:354;
C:353;
C:354;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
136.989 C2 H6 As O2 C[As]...
GDP C:351;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TAD 1.7 Å EC: 3.-.-.- GTPASE MECHANISM OF GPROTEINS FROM THE 1.7-ANGSTROM CRYSTAL OF TRANSDUCIN ALPHA-GDP-ALF4- BOS TAURUS GTP-BINDING PROTEIN G-PROTEIN GTPASE TRANSDUCIN
Ref.: GTPASE MECHANISM OF GPROTEINS FROM THE 1.7-A CRYSTA STRUCTURE OF TRANSDUCIN ALPHA-GDP-AIF-4. NATURE V. 372 276 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1TAG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1TND - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
3 1TAD - GDP C10 H15 N5 O11 P2 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; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF 1 1
Ligand no: 2; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TAD; Ligand: GDP; Similar sites found with APoc: 90
This union binding pocket(no: 1) in the query (biounit: 1tad.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3U6B GDP 1.85185
2 2HCJ GDP 1.85185
3 5JBQ GDP 1.85185
4 4G5G GDP 1.85185
5 2BVN GNP 1.85185
6 1D8T GDP 1.85185
7 3U6K GDP 1.85185
8 5W75 GDP 1.85185
9 4B47 GDP 2.46914
10 5YT0 GDP 2.46914
11 1KK1 GNP 2.77778
12 5W76 GDP 3.11688
13 5W7Q GDP 3.21716
14 4P3Y GDP 3.2967
15 4J0Q GDP 3.39506
16 5M04 GDP 3.39506
17 2C77 GNP 3.39506
18 2C78 GNP 3.39506
19 5H7J GCP 3.7037
20 3TK1 GDP 3.7037
21 5H7K GDP 3.7037
22 1MKY GDP 4.01235
23 2WIC GNP 4.11985
24 1SKQ GDP 4.32099
25 2RCN GDP 5.24691
26 4RD0 GDP 5.24691
27 1YRB GDP 5.72519
28 3T12 GDP ALF 6.06061
29 3T1O GDP 6.06061
30 5O74 GDP 6.11111
31 3W5J GDP 6.37255
32 2WJG GDP 6.38298
33 1PUJ GNP 6.38298
34 5FG3 GDP 6.48148
35 3Q85 GNP 6.50888
36 3GJ3 GDP 6.78733
37 3GJ8 GDP 6.78733
38 3GJ5 GDP 6.78733
39 3GJ7 GDP 6.78733
40 3GJ4 GDP 6.78733
41 4DKX GDP 6.94444
42 3CH5 GDP 6.94444
43 3Q72 GNP 7.22892
44 2WJH GDP 7.22892
45 2HT6 GDP 7.47126
46 1VG1 GDP 7.56757
47 2Y8E GNP 7.82123
48 5LEF GTP 7.8534
49 1S8F GDP 7.9096
50 3WYA GDP 8.06452
51 2FFQ GSP 8.18713
52 1D2E GDP 8.33333
53 2CJW GDP 8.33333
54 5GOE GDP 9.25926
55 4R98 GNH 9.9631
56 2FH5 GTP 11.3514
57 2QN6 GDP 11.828
58 1NRJ GTP 12.844
59 2QTV GNP 14.3713
60 3WY9 GDP 15.625
61 4BAS GNP 17.0854
62 4ZI2 GNP 17.8947
63 4GOJ GNP 17.9894
64 1ZJ6 G3D 18.1818
65 6BCB GSP 18.3784
66 6BCA GSP 18.3784
67 1FZQ GDP 18.7845
68 3DOE GTP 21.3542
69 4M9Q GNP 21.5859
70 1YZG GDP 21.7877
71 1KSH GDP 22.043
72 3CNL GNP 23.6641
73 1UPT GTP 23.9766
74 1MR3 G3D 24.3094
75 5DI3 GNP 24.3243
76 2A5F GTP 25.1429
77 5EE5 GTP 25.1462
78 4YLG GDP 26.0116
79 4KAX GTP 26.0355
80 3AQ4 GDP 26.087
81 2W83 GTP 26.6667
82 1R4A GNP 26.6667
83 1O3Y GTP 27.1084
84 2J59 GTP 27.1084
85 1J2J GTP 27.1084
86 3N5C GDP 27.1605
87 1F6B GDP 27.2727
88 1S9D GDP 28.0488
89 1RE0 GDP 28.0488
90 3PCR GTP 37.037
Pocket No.: 2; Query (leader) PDB : 1TAD; Ligand: ALF; Similar sites found with APoc: 90
This union binding pocket(no: 2) in the query (biounit: 1tad.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3U6B GDP 1.85185
2 2HCJ GDP 1.85185
3 5JBQ GDP 1.85185
4 4G5G GDP 1.85185
5 2BVN GNP 1.85185
6 1D8T GDP 1.85185
7 3U6K GDP 1.85185
8 5W75 GDP 1.85185
9 4B47 GDP 2.46914
10 5YT0 GDP 2.46914
11 1KK1 GNP 2.77778
12 5W76 GDP 3.11688
13 5W7Q GDP 3.21716
14 4P3Y GDP 3.2967
15 4J0Q GDP 3.39506
16 5M04 GDP 3.39506
17 2C77 GNP 3.39506
18 2C78 GNP 3.39506
19 5H7J GCP 3.7037
20 3TK1 GDP 3.7037
21 5H7K GDP 3.7037
22 1MKY GDP 4.01235
23 2WIC GNP 4.11985
24 1SKQ GDP 4.32099
25 2RCN GDP 5.24691
26 4RD0 GDP 5.24691
27 1YRB GDP 5.72519
28 3T12 GDP ALF 6.06061
29 3T1O GDP 6.06061
30 5O74 GDP 6.11111
31 3W5J GDP 6.37255
32 2WJG GDP 6.38298
33 1PUJ GNP 6.38298
34 5FG3 GDP 6.48148
35 3Q85 GNP 6.50888
36 3GJ3 GDP 6.78733
37 3GJ8 GDP 6.78733
38 3GJ5 GDP 6.78733
39 3GJ7 GDP 6.78733
40 3GJ4 GDP 6.78733
41 4DKX GDP 6.94444
42 3CH5 GDP 6.94444
43 3Q72 GNP 7.22892
44 2WJH GDP 7.22892
45 2HT6 GDP 7.47126
46 1VG1 GDP 7.56757
47 2Y8E GNP 7.82123
48 5LEF GTP 7.8534
49 1S8F GDP 7.9096
50 3WYA GDP 8.06452
51 2FFQ GSP 8.18713
52 1D2E GDP 8.33333
53 2CJW GDP 8.33333
54 5GOE GDP 9.25926
55 4R98 GNH 9.9631
56 2FH5 GTP 11.3514
57 2QN6 GDP 11.828
58 1NRJ GTP 12.844
59 2QTV GNP 14.3713
60 3WY9 GDP 15.625
61 4BAS GNP 17.0854
62 4ZI2 GNP 17.8947
63 4GOJ GNP 17.9894
64 1ZJ6 G3D 18.1818
65 6BCB GSP 18.3784
66 6BCA GSP 18.3784
67 1FZQ GDP 18.7845
68 3DOE GTP 21.3542
69 4M9Q GNP 21.5859
70 1YZG GDP 21.7877
71 1KSH GDP 22.043
72 3CNL GNP 23.6641
73 1UPT GTP 23.9766
74 1MR3 G3D 24.3094
75 5DI3 GNP 24.3243
76 2A5F GTP 25.1429
77 5EE5 GTP 25.1462
78 4YLG GDP 26.0116
79 4KAX GTP 26.0355
80 3AQ4 GDP 26.087
81 2W83 GTP 26.6667
82 1R4A GNP 26.6667
83 1O3Y GTP 27.1084
84 2J59 GTP 27.1084
85 1J2J GTP 27.1084
86 3N5C GDP 27.1605
87 1F6B GDP 27.2727
88 1S9D GDP 28.0488
89 1RE0 GDP 28.0488
90 3PCR GTP 37.037
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