Receptor
PDB id Resolution Class Description Source Keywords
1A2B 2.4 Å EC: 3.-.-.- HUMAN RHOA COMPLEXED WITH GTP ANALOGUE HOMO SAPIENS SMALL G-PROTEIN SIGNAL TRANSDUCTION GTPASE RAS SUPERFAMILY ONCOGENE PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN RHOA IN A DOMINANTLY ACTIVE FORM COMPLEXED WITH A GTP ANALOGUE. J.BIOL.CHEM. V. 273 9656 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSP A:538;
Valid;
none;
submit data
539.246 C10 H16 N5 O13 P3 S c1nc2...
MG A:550;
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
1KMQ 1.55 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A CONSTITUTIVELY ACTIVATED RHOA MUTANT (Q63L) HOMO SAPIENS GTPASE CONSTITUTIVE MUTANT GTP-ANALOG SIGNALING PROTEIN
Ref.: STRUCTURE OF A CONSTITUTIVELY ACTIVATED RHOA MUTANT (Q63L) AT 1.55 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 59 876 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1KMQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1DPF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1FTN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5A0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2W2T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2P2L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 2W2V - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 1MH1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 2GCP - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
6 2GCN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1M7B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 3TH5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 3SBD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 2QRZ - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
11 1A4R Kd = 9.4 pM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 4U5X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1RYH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 1RYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 1GWN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (274)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1Z2A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1Z22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1YZT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 1YZU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 1Z08 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 1Z0I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 4DKX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 2Y8E - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 2A5J - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 4LHW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4LHV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 2P2L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 2W2V - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 1MH1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 2WKP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2WKR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2WKQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 5WDO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 3TGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
20 1P2T - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
21 4Q01 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 4M21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 6ARK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 821P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
25 1Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 5VPZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
27 6F76 - CVK C24 H26 N2 O3 CN(C)Cc1cc....
28 6Q21 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
29 4L9W - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
30 4WA7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
31 3V4F - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
32 3K9N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
33 5OCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
34 4M1T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
35 4XVQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
36 5V71 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
37 5VP7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
38 2QUZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
39 1CLU Kd = 5.4 nM DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
40 4L8G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
41 5VBM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
42 2RGD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
43 4PZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
44 4LPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
45 4DLV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
46 4LRW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 2CLD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 4M1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
49 3L8Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50 3LBH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
51 721P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
52 1LF5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
53 1GNR - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
54 4LUC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
55 2RGE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
56 4DLS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
57 4M22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
58 4DLY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
59 1ZW6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
60 2RGC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
61 5VQ1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
62 5V9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
63 2CL0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
64 4TQA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
65 3RRZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
66 5VPY - 9GM C10 H17 N6 O13 P3 c1nc2c(n1[....
67 2EVW - XY2 C12 H15 N5 O4 CC(=O)N(C)....
68 2RGB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
69 4LDJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70 1XJ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
71 1ZVQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
72 5VQ6 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
73 1P2S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
74 5V6V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
75 621P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
76 1P2V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
77 2CL7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
78 3OIW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
79 4LV6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
80 4DLT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
81 1P2U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
82 5V6S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
83 5UK9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
84 6ASE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
85 3RS0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
86 5B30 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
87 5B2Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
88 3KKN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
89 4M1O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
90 5VQ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
91 4M1Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
92 5VPI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
93 5W22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
94 3I3S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
95 4OBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
96 3RRY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
97 1QRA - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
98 6BP1 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
99 4LYJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
100 121P - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
101 1RVD - DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
102 5VBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
103 2RGA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
104 3RS7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
105 5UHV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
106 2CLC - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
107 4EPT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
108 4EPY Kd = 340 uM 0QY C21 H21 N5 O c1ccc2c(c1....
109 4DLZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
110 1AGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
111 1GNQ - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
112 2Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
113 3RS2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
114 5VQ8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
115 4L9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
116 6B0Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
117 4M1S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
118 4EPV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
119 5WDP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
120 4TQ9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
121 3K8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
122 3OIV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
123 5OCT - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
124 5VBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
125 4Q02 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
126 3LBI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
127 3RSL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
128 1LF0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
129 1XCM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
130 421P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
131 4DLR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
132 2CE2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
133 4QL3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
134 4Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
135 4DLU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
136 1CTQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
137 3OIU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
138 6B0V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
139 3RS5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
140 4EPW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
141 5WDQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
142 1IOZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
143 221P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
144 4LYH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
145 4DLX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
146 4Q03 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
147 4PZZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
148 3KKM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
149 1JAI - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
150 3L8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
151 3RS4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
152 3LBN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
153 4NMM - Y9Z C14 H22 N6 O12 P2 CC(=O)NCCO....
154 5VQ2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
155 3RSO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
156 4XVR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
157 5P21 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
158 5F2E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
159 4EPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
160 4EPR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
161 4DLW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
162 5WHD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
163 5V9O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
164 5V9U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
165 2RGG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
166 4LYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
167 1JAH - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
168 1YU9 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
169 2BME - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
170 2BMD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
171 1YZN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
172 3RWM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
173 3RWO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
174 3REG - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
175 2F9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
176 2F9M - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
177 1YZK - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
178 1OIV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
179 2FE4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
180 2FFQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
181 2E9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
182 5US4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
183 5UQW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
184 5USJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
185 3NKV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
186 1HUQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
187 1Z07 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
188 1N6R - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
189 1Z0D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
190 1N6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
191 1N6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
192 1N6K - GDP AF3 n/a n/a
193 1N6N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
194 1N6I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
195 1R2Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
196 1N6L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
197 1N6O - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
198 1TU4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
199 1EK0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
200 1S8F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
201 1YZL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
202 1WMS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
203 1D5C - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
204 1Z0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
205 3E5H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
206 4DSU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
207 4DST - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
208 4DSO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
209 4DSN - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
210 5OCG - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
211 1KAO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
212 3RAP - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
213 1YZQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
214 2GIL - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
215 1Z0A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
216 1KY2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
217 1KY3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
218 2HT6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
219 3KKO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
220 3KKQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
221 3KKP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
222 1X1R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
223 1X1S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
224 1T91 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
225 1VG8 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
226 2GCP - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
227 2GCN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
228 3X1Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
229 3X1Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
230 3X1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
231 3X1X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
232 4Z8Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
233 1G17 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
234 1G16 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
235 1M7B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
236 2DPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
237 3Q7Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
238 3Q7P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
239 3Q72 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
240 1U8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
241 1U90 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
242 1U8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
243 1YVD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
244 5WDR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
245 5WDS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
246 1Z06 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
247 3TH5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
248 3SBD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
249 1OIX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
250 1OIW - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
251 2QRZ - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
252 1A4R Kd = 9.4 pM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
253 1KMQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
254 1DPF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
255 1FTN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
256 5A0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
257 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
258 4U5X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
259 3Q85 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
260 1RYH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
261 1RYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
262 1VG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
263 5XC5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
264 5XC3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
265 3RAB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
266 1GWN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
267 2EW1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
268 4O25 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
269 4O2R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
270 4O2L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
271 6BSX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
272 5YXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
273 1XTQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
274 3SEA - 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 : 1KMQ; Ligand: GNP; Similar sites found with APoc: 67
This union binding pocket(no: 1) in the query (biounit: 1kmq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2HCJ GDP 3.80435
2 2BVN GNP 3.80435
3 2FH5 GTP 4.34783
4 2C77 GNP 4.8913
5 2C78 GNP 4.8913
6 1YRB GDP 4.96183
7 4M9Q GNP 5.43478
8 3U6B GDP 7.6087
9 4P3Y GDP 7.69231
10 2QN6 GDP 8.15217
11 4RD0 GDP 8.15217
12 4DCT GDP 8.15217
13 3WY9 GDP 11.413
14 5YT0 GDP 14.6739
15 5FG3 GDP 14.6739
16 1MKY GDP 17.9348
17 5EE5 GTP 23.3918
18 4KAX GTP 23.6686
19 2W83 GTP 24.2424
20 4NCN GTP 25
21 4TMZ GSP 25
22 1FQJ ALF 26.087
23 1UPT GTP 26.6667
24 1KSH GDP 27.7174
25 2RCN GDP 28.2609
26 5DI3 GNP 30.9783
27 3M1I GTP 35.3261
28 3WYF GTP 35.3261
29 3WYG GTP 35.7143
30 3GJ4 GDP 36.413
31 3GJ7 GDP 36.413
32 3GJ8 GDP 36.413
33 3GJ5 GDP 36.413
34 1J2J GTP 36.747
35 2J59 GTP 36.747
36 5UWQ GNP 36.9565
37 5DIF GNP 36.9565
38 5UWI GNP 36.9565
39 5UWJ GNP 36.9565
40 5UWW GNP 36.9565
41 5UWO GNP 36.9565
42 5UWU GNP 36.9565
43 5UWR GNP 36.9565
44 5UWT GNP 36.9565
45 5DHF GNP 36.9565
46 6CIT GNP 36.9565
47 5UWH GNP 36.9565
48 5UWP GNP 36.9565
49 4HAT GNP 36.9565
50 5DI9 GNP 36.9565
51 5UWS GNP 36.9565
52 3GJ3 GDP 36.9565
53 3GJX GTP 37.5
54 4B47 GDP 38.0435
55 2CJW GDP 41.3043
56 4GOJ GNP 41.8478
57 4ZI2 GNP 41.8478
58 3BC1 GNP 42.3913
59 3TKL GTP 45.6522
60 5SZH GNP 45.6522
61 1VG9 GDP 45.6522
62 4LX0 BEF GDP 46.3277
63 1Z0K GTP 46.5116
64 5TB5 GDP 47.8261
65 1UAD GNP 48.5714
66 3MJH GTP 48.8095
67 1ZC3 GNP 49.1429
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