Receptor
PDB id Resolution Class Description Source Keywords
1N6K 1.55 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN RAB5A A30P MUTANT COMPLEX WITH GDP AND ALUMINUM FLUORIDE HOMO SAPIENS RAB GTPASE PROTEIN TRANSPORT
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES OF HUMAN RAB5A AND FIVE MUTANTS WITH SUBSTITUTIONS IN THE CATALYTICALLY IMPORTANT PHOSPHATE-BINDING LOOP J.BIOL.CHEM. V. 278 2452 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:210;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
GDP AF3 A:200;
Valid;
none;
submit data
524.154 n/a P(=O)...
MG A:201;
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
1R2Q 1.05 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN RAB5A GTPASE DOMAIN AT 1.05 A RES HOMO SAPIENS RAB GTPASE GNP ATOMIC RESOLUTION PROTEIN TRANSPORT
Ref.: REFINEMENT OF THE STRUCTURE OF HUMAN RAB5A GTPASE D 1.05 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 60 54 2004
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1HUQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1Z07 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 1N6R - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 1Z0D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1N6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 1N6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 1N6K - GDP AF3 n/a n/a
8 1N6N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 1N6I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1R2Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 1N6L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 1N6O - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
13 1TU4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 1HUQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1Z07 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 1N6R - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 1Z0D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1N6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 1N6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
7 1N6K - GDP AF3 n/a n/a
8 1N6N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 1N6I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1R2Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 1N6L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 1N6O - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
13 1TU4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 1EK0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 1YVD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50% Homology Family (311)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 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 5WDO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 3TGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1P2T - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4Q01 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 4M21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 6ARK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 6P8Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 821P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
16 1Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 5VPZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 6MBQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 4DSU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 6F76 - CVK C24 H26 N2 O3 CN(C)Cc1cc....
21 6Q21 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
22 4L9W - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
23 6E6G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 4WA7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 3V4F - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
26 3K9N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
27 5OCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
28 4M1T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 6P8X - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4XVQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
31 5V71 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
32 5VP7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
33 2QUZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 1CLU Kd = 5.4 nM DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
35 6GJ7 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
36 4L8G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
37 5VBM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
38 2RGD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
39 4PZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
40 4LPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
41 4DLV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
42 4LRW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
43 2CLD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
44 6E6C - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
45 4M1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
46 3L8Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
47 3LBH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
48 6PGP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
49 721P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50 1LF5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 1GNR - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
52 4LUC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
53 2RGE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
54 4DLS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
55 4DST - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
56 4M22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 4DLY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
58 6M9W - GDP C10 H15 N5 O11 P2 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 6GOF - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
66 6GOM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
67 3RRZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
68 5VPY - 9GM C10 H17 N6 O13 P3 c1nc2c(n1[....
69 4DSO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70 2EVW - XY2 C12 H15 N5 O4 CC(=O)N(C)....
71 2RGB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
72 4LDJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
73 1XJ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
74 6E6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
75 1ZVQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
76 5VQ6 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
77 6DZH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
78 1P2S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
79 5V6V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
80 621P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
81 1P2V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
82 2CL7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
83 3OIW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
84 4LV6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
85 6P8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
86 4DLT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
87 1P2U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
88 6QUW - JJQ C14 H20 N2 C[C@@]12CC....
89 5V6S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
90 5UK9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
91 6ASE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
92 3RS0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
93 6PGO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
94 5B30 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
95 5B2Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
96 3KKN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
97 4M1O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
98 6P8W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
99 5VQ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
100 4M1Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
101 5VPI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
102 5W22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
103 6GJ6 Kd = 20.4 uM EZZ C19 H19 N3 O2 CN(C)Cc1c(....
104 6MQN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
105 3I3S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
106 4OBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
107 3RRY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
108 1QRA - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
109 6QUX Kd = 1 mM JJN C22 H25 N3 O CC1(CCN(CC....
110 6GJ8 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
111 6BP1 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
112 4LYJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
113 121P - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
114 6GJ5 Kd = 440 uM F0N C20 H19 N3 O c1ccc2c(c1....
115 1RVD - DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
116 5VBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
117 2RGA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
118 3RS7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
119 5UHV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
120 2CLC - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
121 4EPT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
122 4EPY Kd = 340 uM 0QY C21 H21 N5 O c1ccc2c(c1....
123 4DLZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
124 1AGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
125 1GNQ - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
126 2Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
127 3RS2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
128 5VQ8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
129 6MBT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
130 4L9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
131 6B0Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
132 6GQT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
133 4M1S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
134 4EPV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
135 5WDP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
136 6QUU - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
137 6GOE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
138 4TQ9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
139 3K8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
140 3OIV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
141 5OCT - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
142 5VBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
143 4Q02 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
144 3LBI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
145 3RSL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
146 4DSN - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
147 6GOG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
148 1LF0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
149 1XCM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
150 421P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
151 4DLR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
152 2CE2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
153 4QL3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
154 4Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
155 4DLU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
156 1CTQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
157 5OCG - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
158 3OIU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
159 6QUV Kd = 1 mM JJN C22 H25 N3 O CC1(CCN(CC....
160 6B0V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
161 3RS5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
162 6OIM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
163 4EPW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
164 5WDQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
165 1IOZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
166 221P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
167 4LYH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
168 4DLX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
169 4Q03 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
170 4PZZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
171 3KKM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
172 1JAI - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
173 3L8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
174 3RS4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
175 3LBN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
176 4NMM - Y9Z C14 H22 N6 O12 P2 CC(=O)NCCO....
177 5VQ2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
178 3RSO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
179 4XVR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
180 5P21 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
181 5F2E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
182 4EPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
183 6MQG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
184 4EPR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
185 6P0Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
186 4DLW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
187 5WHD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
188 6CU6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
189 5V9O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
190 5V9U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
191 2RGG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
192 6E6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
193 4LYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
194 6MBU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
195 1JAH - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
196 2Y8E - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
197 2A5J - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
198 4LHW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
199 4LHV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
200 2P2L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
201 2W2V - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
202 1MH1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
203 2WKP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
204 2WKR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
205 2WKQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
206 1YU9 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
207 2BME - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
208 2BMD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
209 1YZN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
210 3RWM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
211 3RWO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
212 3REG - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
213 2F9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
214 2F9M - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
215 1YZK - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
216 1OIV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
217 2FE4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
218 2FFQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
219 2E9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
220 5US4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
221 5UQW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
222 5USJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
223 3NKV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
224 1HUQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
225 1Z07 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
226 1N6R - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
227 1Z0D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
228 1N6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
229 1N6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
230 1N6K - GDP AF3 n/a n/a
231 1N6N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
232 1N6I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
233 1R2Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
234 1N6L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
235 1N6O - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
236 1TU4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
237 6HXU - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
238 1EK0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
239 1S8F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
240 1YZL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
241 1WMS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
242 1D5C - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
243 1Z0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
244 3E5H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
245 1KAO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
246 3RAP - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
247 1YZQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
248 2GIL - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
249 6HH2 Kd = 2.7 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
250 1Z0A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
251 1KY2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
252 1KY3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
253 2HT6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
254 3KKO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
255 3KKQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
256 3KKP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
257 1X1R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
258 1X1S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
259 1T91 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
260 1VG8 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
261 2GCP - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
262 2GCN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
263 3X1Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
264 3X1Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
265 3X1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
266 3X1X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
267 4Z8Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
268 1G17 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
269 1G16 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
270 1M7B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
271 2DPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
272 3Q7Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
273 3Q7P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
274 3Q72 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
275 1U8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
276 1U90 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
277 1U8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
278 1YVD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
279 5WDR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
280 5WDS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
281 1Z06 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
282 3TH5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
283 3SBD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
284 1OIX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
285 1OIW - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
286 2QRZ - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
287 1A4R Kd = 9.4 pM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
288 1KMQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
289 1DPF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
290 1FTN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
291 5A0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
292 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
293 4U5X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
294 6FF8 Kd = 1.2 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
295 3Q85 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
296 1RYH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
297 1RYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
298 1VG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
299 5XC5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
300 5XC3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
301 3RAB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
302 6HDU Kd = 1.2 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
303 1GWN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
304 2EW1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
305 4O25 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
306 4O2R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
307 4O2L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
308 6BSX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
309 5YXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
310 1XTQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
311 3SEA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP AF3; Similar ligands found: 110
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP AF3 1 1
2 ALF GDP 0.8 1
3 GDP ALF 0.8 1
4 ALF 5GP 0.772727 1
5 GDP 7MG 0.71 0.879518
6 5GP 0.701149 0.9
7 G 0.701149 0.9
8 GDP 0.7 0.888889
9 GP3 0.688889 0.86747
10 GCP 0.688172 0.86747
11 GP2 0.681319 0.857143
12 G2P 0.680851 0.857143
13 GNH 0.673913 0.878049
14 GTP 0.659574 0.888889
15 G1R 0.652632 0.878049
16 GNP 0.645833 0.86747
17 9GM 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 PGD O 0.6 0.784946
24 GMP 0.593023 0.802469
25 GPG 0.592233 0.857143
26 G1R G1R 0.591667 0.869048
27 YGP 0.590476 0.827586
28 6CK 0.588785 0.903614
29 G3A 0.588785 0.86747
30 GCP G 0.586538 0.8875
31 GKE 0.584906 0.857143
32 GDC 0.584906 0.857143
33 GDD 0.584906 0.857143
34 Y9Z 0.584906 0.808989
35 G5P 0.583333 0.86747
36 GTG 0.579439 0.858824
37 GFB 0.579439 0.857143
38 GDR 0.579439 0.857143
39 A G 0.577586 0.901235
40 U A G G 0.57265 0.901235
41 KB7 0.571429 0.77907
42 G A A A 0.564103 0.890244
43 GKD 0.563636 0.857143
44 JB2 0.563636 0.857143
45 GDX 0.558559 0.86747
46 GPD 0.558559 0.827586
47 G3D 0.54902 0.876543
48 G4P 0.538462 0.876543
49 3GP 0.536842 0.864198
50 JB3 0.534483 0.847059
51 KBD 0.53271 0.77907
52 NGD 0.529915 0.879518
53 FEG 0.529915 0.808989
54 2MD 0.529412 0.8
55 ZGP 0.525424 0.8
56 0O2 0.518519 0.876543
57 U2G 0.516949 0.837209
58 CAG 0.516393 0.811111
59 G U 0.512605 0.869048
60 MD1 0.512 0.8
61 CG2 0.508333 0.837209
62 G C 0.504132 0.869048
63 MGD 0.504065 0.8
64 KBJ 0.5 0.752809
65 2GP 0.489796 0.853659
66 PGD 0.488189 0.827586
67 DBG 0.48062 0.847059
68 TPG 0.48062 0.757895
69 FE9 0.480315 0.755102
70 BGO 0.479339 0.825581
71 G G G C 0.46875 0.858824
72 G G G RPC 0.467742 0.845238
73 G4M 0.467153 0.791209
74 A G C C 0.465116 0.879518
75 APC G U 0.464567 0.855422
76 GPX 0.463636 0.841463
77 GH3 0.458716 0.865854
78 DGI 0.457143 0.823529
79 GGM 0.456 0.806818
80 ADP PO3 0.451923 0.8375
81 ATP MG 0.451923 0.8375
82 G C C C 0.451128 0.869048
83 P2G 0.45098 0.807229
84 ADP ALF 0.448598 0.9125
85 ALF ADP 0.448598 0.9125
86 AKW 0.443548 0.818182
87 A G U 0.442857 0.858824
88 P1G 0.442308 0.797619
89 DG 0.441176 0.833333
90 DGP 0.441176 0.833333
91 ADP MG 0.441176 0.8375
92 DGT 0.440367 0.823529
93 DG DG 0.438596 0.837209
94 IDP 0.438095 0.864198
95 IMP 0.431373 0.875
96 VO4 ADP 0.431193 0.829268
97 ADP VO4 0.431193 0.829268
98 A G U U 0.427586 0.858824
99 PCG 0.420561 0.851852
100 35G 0.420561 0.851852
101 C2E 0.420561 0.841463
102 G U34 0.417323 0.858824
103 G1G 0.416667 0.848837
104 5GP 5GP 0.416667 0.851852
105 G7M 0.413462 0.890244
106 GPC 0.412214 0.872093
107 SGP 0.409524 0.758621
108 R5I 0.409091 0.841463
109 R7I 0.409091 0.841463
110 ADP BMA 0.408696 0.797619
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1R2Q; Ligand: GNP; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 1r2q.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1NF3 GNP None
2 1NF3 GNP None
3 1NF3 GNP None
4 1NF3 GNP None
5 5UPK GNP 4.70588
6 2AWN ADP 5.88235
7 2AWN ADP 5.88235
8 2AWN ADP 5.88235
9 2AWN ADP 5.88235
10 1FQJ ALF 11.9048
11 4ZI2 GNP 24.7368
12 4ZI2 GNP 24.7368
13 4GOJ GNP 24.8677
14 5EE5 GTP 30.5882
15 2A5F GTP 37.6471
16 1E96 GTP 45.2941
17 2W2X GSP 46.4706
18 6SGE GTP 47.6471
19 6SGE GTP 47.6471
20 4XOI GTP 47.6471
21 4XOI GTP 47.6471
22 1TX4 ALF GDP 48.2353
23 6BCB GSP 48.8235
24 6BCA GSP 48.8235
25 6BCA GSP 48.8235
26 1CXZ GSP 48.8235
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