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Receptor
PDB id Resolution Class Description Source Keywords
5AK0 2.03 Å EC: 3.1.3.46_2.7.1.105 HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 6 HOMO SAPIENS TRANSFERASE
Ref.: STRUCTURE-BASED DESIGN OF POTENT AND SELECTIVE INHI OF THE METABOLIC KINASE PFKFB3. J.MED.CHEM. V. 58 3611 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F6P A:1449;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
PO4 A:1447;
A:1448;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
8V1 A:1450;
Valid;
none;
ic50 = 0.021 uM
415.488 C24 H25 N5 O2 Cn1cc...
PHS A:1446;
Invalid;
none;
submit data
81.996 H3 O3 P OP(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AK0 2.03 Å EC: 3.1.3.46_2.7.1.105 HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 6 HOMO SAPIENS TRANSFERASE
Ref.: STRUCTURE-BASED DESIGN OF POTENT AND SELECTIVE INHI OF THE METABOLIC KINASE PFKFB3. J.MED.CHEM. V. 58 3611 2015
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2DWO Ki = 8.3 uM PEP C3 H5 O6 P C=C(C(=O)O....
2 2AXN - F6P C6 H13 O9 P C([C@@H]1[....
3 6HVH ic50 = 0.047 uM GV2 C28 H26 N6 O2 Cn1ccc2c1c....
4 5AJY ic50 = 0.496 uM 87T C20 H19 N5 O2 Cn1cc(cn1)....
5 3QPV - F6P C6 H13 O9 P C([C@@H]1[....
6 6HVI ic50 = 0.38 uM GV5 C22 H21 N5 O2 S CN(C)c1ccc....
7 5AK0 ic50 = 0.021 uM 8V1 C24 H25 N5 O2 Cn1cc(c2c1....
8 2I1V - F6P C6 H13 O9 P C([C@@H]1[....
9 4MA4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 5AJW ic50 = 0.104 uM S6L C24 H21 N5 O2 c1ccc(cc1)....
11 3QPW - PEP C3 H5 O6 P C=C(C(=O)O....
12 5AJZ ic50 = 0.343 uM MJP C17 H14 N4 O2 c1cc(ccc1N....
13 6HVJ ic50 = 0.028 uM GV8 C23 H18 N4 O3 S Cc1coc2c1c....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BIF - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 3BIF - SIN C4 H6 O4 C(CC(=O)O)....
3 2BIF - BOG C14 H28 O6 CCCCCCCCO[....
4 1K6M - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
5 2DWO Ki = 8.3 uM PEP C3 H5 O6 P C=C(C(=O)O....
6 2AXN - F6P C6 H13 O9 P C([C@@H]1[....
7 6HVH ic50 = 0.047 uM GV2 C28 H26 N6 O2 Cn1ccc2c1c....
8 5AJY ic50 = 0.496 uM 87T C20 H19 N5 O2 Cn1cc(cn1)....
9 3QPV - F6P C6 H13 O9 P C([C@@H]1[....
10 6HVI ic50 = 0.38 uM GV5 C22 H21 N5 O2 S CN(C)c1ccc....
11 5AK0 ic50 = 0.021 uM 8V1 C24 H25 N5 O2 Cn1cc(c2c1....
12 2I1V - F6P C6 H13 O9 P C([C@@H]1[....
13 4MA4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 5AJW ic50 = 0.104 uM S6L C24 H21 N5 O2 c1ccc(cc1)....
15 3QPW - PEP C3 H5 O6 P C=C(C(=O)O....
16 5AJZ ic50 = 0.343 uM MJP C17 H14 N4 O2 c1cc(ccc1N....
17 6HVJ ic50 = 0.028 uM GV8 C23 H18 N4 O3 S Cc1coc2c1c....
18 5HR5 Ki = 80 uM FLC C6 H5 O7 C(C(=O)[O-....
19 5HTK Kd = 80 uM FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BIF - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
2 3BIF - SIN C4 H6 O4 C(CC(=O)O)....
3 2BIF - BOG C14 H28 O6 CCCCCCCCO[....
4 1K6M - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
5 2DWO Ki = 8.3 uM PEP C3 H5 O6 P C=C(C(=O)O....
6 2AXN - F6P C6 H13 O9 P C([C@@H]1[....
7 6HVH ic50 = 0.047 uM GV2 C28 H26 N6 O2 Cn1ccc2c1c....
8 5AJY ic50 = 0.496 uM 87T C20 H19 N5 O2 Cn1cc(cn1)....
9 3QPV - F6P C6 H13 O9 P C([C@@H]1[....
10 6HVI ic50 = 0.38 uM GV5 C22 H21 N5 O2 S CN(C)c1ccc....
11 5AK0 ic50 = 0.021 uM 8V1 C24 H25 N5 O2 Cn1cc(c2c1....
12 2I1V - F6P C6 H13 O9 P C([C@@H]1[....
13 4MA4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 5AJW ic50 = 0.104 uM S6L C24 H21 N5 O2 c1ccc(cc1)....
15 3QPW - PEP C3 H5 O6 P C=C(C(=O)O....
16 5AJZ ic50 = 0.343 uM MJP C17 H14 N4 O2 c1cc(ccc1N....
17 6HVJ ic50 = 0.028 uM GV8 C23 H18 N4 O3 S Cc1coc2c1c....
18 5HR5 Ki = 80 uM FLC C6 H5 O7 C(C(=O)[O-....
19 5HTK Kd = 80 uM FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6P; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 F6P 1 1
2 TA6 1 1
3 FBP 0.666667 0.954545
4 AFP 0.666667 0.954545
5 SF9 0.564103 0.744186
6 PSV 0.564103 0.744186
7 LFR 0.564103 0.744186
8 SF6 0.564103 0.744186
9 FRU 0.564103 0.744186
10 FDP 0.55102 0.954545
11 F1X 0.531915 1
12 LBS 0.490566 0.755556
13 FRU FRU 0.490566 0.755556
14 0UB 0.464286 0.755556
15 S7P 0.444444 0.976744
16 AHG 0.431818 0.886364
17 SUP 0.40625 0.913043
18 RP5 0.404255 0.906977
19 HSX 0.404255 0.906977
20 ABF 0.404255 0.906977
Ligand no: 2; Ligand: 8V1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8V1 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AK0; Ligand: F6P; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 5ak0.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3N2O AG2 2.88462
2 2AK3 AMP 4.42478
3 3FAL LO2 4.95868
4 1JGS SAL 5.7971
5 3OI7 OI7 7.87671
6 3LL4 2FP 8.21918
7 1X0P FAD 16.0839
8 3FDZ DG2 29.9611
9 3FDZ 3PG 29.9611
10 3GP3 SEP 29.9611
11 2HHJ DG2 29.9625
12 2HHJ 3PG 29.9625
13 4IJ6 SEP 39.3365
Pocket No.: 2; Query (leader) PDB : 5AK0; Ligand: F6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5ak0.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5AK0; Ligand: 8V1; Similar sites found with APoc: 726
This union binding pocket(no: 3) in the query (biounit: 5ak0.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 5M7P ADP 0.881057
2 2C9O ADP 1.09649
3 4ZKD GDP 1.2024
4 3TBK ANP 1.34615
5 5XDR ADP 1.34615
6 2ZPA ADP 1.34615
7 5FTB ANP 1.38568
8 5FHD ADP ALF 1.38568
9 5GOE GDP 1.4218
10 1W5T ANP 1.45631
11 1W5T ADP 1.45631
12 3E70 GDP 1.52439
13 2WHX ADP 1.53846
14 2JHP GUN 1.53846
15 5Y6N ADP 1.59817
16 6BR9 PGV 1.67131
17 1P3D ANP 1.68421
18 1GQY ACP 1.68421
19 1F9V ADP 1.72911
20 3RC3 ANP 1.73077
21 1OS1 ATP 1.73077
22 1OS1 PYR 1.73077
23 1DUV PSQ 1.8018
24 2Q8M AMP 1.80723
25 4JZ8 CIT 1.89274
26 3TKY SAH 1.90217
27 2QZ4 ADP 1.9084
28 5ZXD ATP 1.92308
29 4ZDJ UTP 1.92308
30 5VHC BEF ADP 1.92308
31 1EKX PAL 1.92926
32 5N6C TLA 2
33 5TSH ADP 2.04082
34 5TSH ANP 2.04082
35 4LIK CIT 2.04082
36 4FRZ ADP 2.07254
37 3OBT SLB 2.07373
38 2GK6 ADP 2.11538
39 3WIR BGC 2.11538
40 2NCD ADP 2.14286
41 3EWA ANP 2.17391
42 3FYH ADP 2.17391
43 3P4X ADP 2.17918
44 1TQ4 GDP 2.17918
45 4LOC OXM 2.21519
46 2C77 GNP 2.22222
47 2C78 GNP 2.22222
48 5LB3 ADP 2.24719
49 3LRE ADP 2.25352
50 1SVK ALF GDP 2.26629
51 3U6B GDP 2.28426
52 5JBQ GDP 2.28426
53 4G5G GDP 2.28426
54 3U6K GDP 2.28426
55 1D8T GDP 2.29008
56 2BVN GNP 2.29008
57 3IO3 ADP 2.29885
58 1DAR GDP 2.30769
59 4LYA ATP 2.30769
60 4ZG4 VO4 ADP 2.30769
61 4J0Q GDP 2.30947
62 1R2Q GNP 2.35294
63 4LJ9 ACP 2.35988
64 4TL6 ANP 2.37154
65 3MJH GTP 2.38095
66 2ZTS ADP 2.39044
67 1NJF ADP 2.4
68 1NJF AGS 2.4
69 5W7Q GDP 2.41287
70 3FKQ ATP 2.41287
71 1FP6 ADP 2.42215
72 1Y3A GDP 2.43161
73 3EC1 GDP 2.43902
74 2V54 TYD 2.45098
75 1VKJ A3P 2.45614
76 1ION ADP 2.46914
77 3ZQ6 ADP ALF 2.46914
78 4PFO ADP 2.5
79 4PJ3 ANP 2.5
80 1OYY AGS 2.5
81 4EIL FOL 2.5
82 1D2E GDP 2.51889
83 1BH2 GSP 2.53968
84 5U32 GDP 2.54237
85 2PL3 ADP 2.54237
86 1OXV ANP 2.54958
87 4R43 GDP 2.55591
88 1FNN ADP 2.57069
89 2XN5 FUN 2.57143
90 4DCT GDP 2.63158
91 5BN3 ADP 2.64423
92 2GDJ ANP 2.65152
93 4IEE AGS 2.65306
94 1WF3 GNP 2.65781
95 2GWH A3P 2.68456
96 2GKS ADP 2.69231
97 3BD9 A3P 2.69231
98 3N75 G4P 2.69231
99 1T9D P22 2.69231
100 1LVK MNT BEF 2.69231
101 4RZ3 ADP 2.71186
102 4A34 FUL 2.72109
103 4PX9 ADP 2.73973
104 5YT0 GDP 2.74725
105 4WZ6 ATP 2.75862
106 3FIU POP 2.81124
107 6DEF GCP 2.8133
108 3VX3 ADP 2.82258
109 2ODE ALF GDP 2.83688
110 1XKV ATP 2.88462
111 4YJ1 ADP 2.88462
112 1F5N GNP 2.88462
113 3DC4 ADP 2.90698
114 4KVA GTP 2.91262
115 1SVM ATP 2.91777
116 1KK1 GNP 2.92683
117 4DOE CBK 2.94737
118 2IXE ATP 2.95203
119 1G3Q ADP 2.95359
120 1MKY GDP 2.96128
121 4JLV ADP 2.97398
122 1P72 ADP 2.99401
123 4KBF AMP 3.0137
124 3T1O GDP 3.0303
125 1AQU A3P 3.0303
126 5FG3 GDP 3.07692
127 5MZN ADP 3.07692
128 6FAA ADP 3.07692
129 1NST A3P 3.07692
130 1TAD GDP 3.08642
131 1TAD ALF 3.08642
132 1WTC ACP 3.09598
133 5VCM UDP 3.10263
134 1OTH PAO 3.11526
135 5WRI A3P 3.125
136 2AWN ADP 3.14961
137 3RLF ANP 3.14961
138 2CE7 ADP 3.15126
139 2ZE7 DST 3.16206
140 2ZE7 AMP 3.16206
141 4QYS PLR 3.16742
142 5H4S RAM 3.16901
143 5KUT GDP 3.1746
144 1Z06 GNP 3.1746
145 6BR8 PGV 3.1746
146 6AU6 GDP 3.18302
147 5G1N PAL 3.18471
148 2D2F ADP 3.2
149 3WY9 GDP 3.22581
150 3WYA GDP 3.22581
151 3EZ2 ADP 3.26633
152 2FAH GDP 3.26923
153 4YS0 ADP 3.26923
154 3HU3 AGS 3.27198
155 4NCN GTP 3.28228
156 1IN4 ADP 3.29341
157 1GXU 2HP 3.2967
158 5WRJ A3P 3.30033
159 2J0V GDP 3.30189
160 4LPS GDP 3.30579
161 4RW3 SHV 3.31126
162 4AG5 ADP 3.31633
163 3TK1 GDP 3.33333
164 1JI0 ATP 3.33333
165 2I4I AMP 3.35731
166 1GOJ ADP 3.38028
167 3MD0 GDP 3.38028
168 1V8K ANP 3.41463
169 3ZFD ANP 3.4188
170 5X40 ACP 3.42466
171 6A20 ADP 3.43249
172 1B0U ATP 3.43511
173 1UKZ ADP 3.44828
174 1UKZ AMP 3.44828
175 3A06 FOM 3.45745
176 1YTM ATP 3.46154
177 1JQN DCO 3.46154
178 4U5I BXP 3.47395
179 2PZE ATP 3.49345
180 3FWY ADP 3.50318
181 1XP8 AGS 3.55191
182 3KC1 2T6 3.56083
183 1SQ5 ADP 3.57143
184 5IRR GSP 3.57143
185 1SVI GDP 3.58974
186 1ZCB GDP 3.59116
187 4WEI GLC GAL 3.61011
188 3BER AMP 3.61446
189 6B8B ADP 3.61446
190 3GJ0 GDP 3.61991
191 3GJ3 GDP 3.61991
192 3GJ5 GDP 3.61991
193 5W76 GDP 3.63636
194 5I0H ADP BEF 3.65385
195 2QTV GNP 3.65385
196 3TDC 0EU 3.65385
197 3DKP ADP 3.67347
198 1T8U A3P 3.67647
199 2OZE AGS 3.69128
200 2Z5F A3P 3.69128
201 1IBR GNP 3.7037
202 3COB ADP 3.79404
203 1HTW ADP 3.79747
204 2QQ0 THM 3.80435
205 2QQ0 ANP 3.80435
206 2QQ0 TMP 3.80435
207 2QQ0 ADP 3.80435
208 5H68 AGS 3.82353
209 6C90 ADP 3.84615
210 6C0B MLI 3.84615
211 1WRA PC 3.8961
212 3NHB ADP 3.92157
213 5WC2 ADP 3.93519
214 1LPD ADE 3.93701
215 3CX8 GSP 3.94089
216 1W7J ADP BEF 3.97351
217 5XJ7 87O 3.9801
218 2CHG ANP 3.9823
219 5MEX PAP 4.03727
220 3MGB PAP 4.07523
221 1BO4 COA 4.16667
222 1CM0 COA 4.16667
223 4FCW ADP 4.18006
224 1R0X ATP 4.1958
225 3DEF GDP 4.19847
226 2BVE PH5 4.20168
227 1YNS HPO 4.21456
228 4DID GDP 4.23077
229 4V03 ADP 4.28016
230 5JCP GDP ALF 4.29594
231 5MVR ADP 4.32099
232 5UPK GNP 4.32432
233 3KJI ADP 4.33071
234 4H1V GNP 4.33604
235 1G4U GDP 4.34783
236 3B7G ANP 4.34783
237 4TMZ GSP 4.34783
238 4PYA 2X3 4.34783
239 4OWK NGA 4.34783
240 2BCG GDP 4.36893
241 1GWN GTP 4.39024
242 3BFX A3P 4.39189
243 6G14 G4P 4.42177
244 2AK3 AMP 4.42478
245 3BFV ADP 4.42804
246 2O66 FLC 4.44444
247 2GCO GNP 4.47761
248 2GCN GDP 4.47761
249 4XGU ADP 4.48113
250 2FJU GSP 4.49438
251 4BAS GNP 4.52261
252 4HSE ADP 4.53401
253 5I34 GDP 4.53515
254 1HE1 GDP 4.54545
255 5J1J ANP 4.5614
256 4PPF FLC 4.57143
257 2B8W ALF 5GP 4.57317
258 1PUJ GNP 4.60993
259 1IHU AF3 4.61538
260 1WDT GTP 4.61538
261 1IHU ADP 4.61538
262 4IOK XPO 4.61538
263 3NOJ PYR 4.62185
264 4DKX GDP 4.62963
265 3B9Q MLI 4.63576
266 3REF GDP 4.63918
267 2Y65 ADP 4.65753
268 1OW3 GDP 4.66321
269 4IHQ ADP 4.67836
270 4HUT ATP 4.71204
271 1CS4 GSP 4.71698
272 3QKT ANP 4.71976
273 5BXQ GDP 4.72441
274 3FVQ ATP 4.73538
275 3IX9 MTX 4.73684
276 4ZNL BEF ADP 4.74453
277 5CK5 GDP 4.74684
278 2RCN GDP 4.7486
279 1XPJ TLA 4.7619
280 2FSH ANP 4.80769
281 4AG9 COA 4.84848
282 4D0N GDP 4.86486
283 3LXR GDP 4.86486
284 5HPY GDP 4.86486
285 1YZN GNP 4.86486
286 6BCA GSP 4.86486
287 1T5C ADP 4.87106
288 5NM7 GLY 4.88722
289 1M7B GTP 4.8913
290 1KMQ GNP 4.8913
291 3CNL GNP 4.96183
292 1R6B ADP 5
293 4XOI GTP 5
294 3I6B KDO 5
295 5N69 ADP 5.02513
296 1VHT BA3 5.04587
297 1F6B GDP 5.05051
298 2G77 GDP 5.05051
299 2G77 AF3 5.05051
300 5GVR LMR 5.12821
301 5H7J GCP 5.19231
302 2CJW GDP 5.20833
303 1OE0 TTP 5.21739
304 1BG2 ADP 5.23077
305 1RRC ADP 5.31561
306 2JLR ANP 5.32151
307 5ZBR ANP 5.33333
308 4WOP CTP 5.33333
309 4BFW ZVW 5.34591
310 3CPJ GDP 5.38117
311 5YV5 ADP 5.38462
312 1YQT ADP 5.38462
313 5KSZ GCP 5.42453
314 2VVG ADP 5.42857
315 4XSH GSP 5.47945
316 1H65 GDP 5.55556
317 1Q19 SSC 5.5666
318 4IV9 TSR 5.57692
319 1YZG GDP 5.58659
320 3L6C MLI 5.60472
321 4X8O AP5 5.60748
322 1XMV ADP 5.61798
323 2WOJ ADP ALF 5.64972
324 5J1S ATP 5.69106
325 2QEN ADP 5.71429
326 4R2I ANP 5.71429
327 2O0J ADP 5.71429
328 2J0B UDP 5.71429
329 2YOH WMJ 5.71429
330 1YRB GDP 5.72519
331 2HT6 GDP 5.74713
332 4GOX A3P 5.7508
333 3B5J 12D 5.76132
334 3A4M ADP 5.76923
335 5EXT ADP 5.76923
336 4B47 GDP 5.78512
337 2FFQ GSP 5.84795
338 2OG2 MLI 5.84958
339 1YZQ GNP 5.88235
340 2YVK MRU 5.88235
341 1MH1 GNP 5.91398
342 1YVD GNP 5.91716
343 3H4S ADP 5.92593
344 4LC1 GDP 5.93472
345 2H92 C5P 5.93607
346 3RWO GDP 5.94595
347 2GMV UN8 5.96154
348 1KAO GDP 5.98802
349 3TMK T5A 6.01852
350 2F9L GDP 6.03015
351 4OHY ANP 6.03248
352 1LVG ADP 6.06061
353 4OI4 ATP 6.08696
354 3GJ7 GDP 6.12245
355 4KFU ACP 6.13208
356 2GOO NDG 6.14035
357 1Z0F GDP 6.14525
358 2Y8E GNP 6.14525
359 4U00 ADP 6.14754
360 2IS6 ADP 6.15385
361 1D5C GDP 6.17284
362 1G6H ADP 6.22568
363 4R98 GNH 6.27306
364 2B8T THM 6.27803
365 1OIV GDP 6.28272
366 1OIX GDP 6.28272
367 1KO8 6PG 6.28571
368 2ZR9 DTP 6.30372
369 1JJV ATP 6.31068
370 1M2O GNP 6.31579
371 2WKQ GTP 6.3253
372 2OBM ADP 6.34006
373 4IDN GNP 6.34573
374 5OCG GNP 6.34921
375 2EFE GNH 6.36704
376 1G7C 5GP 6.38298
377 2WCV FUC 6.42857
378 2BME GNP 6.45161
379 1KSH GDP 6.45161
380 1Z08 GNP 6.47059
381 3FB4 AP5 6.48148
382 5TAR GDP 6.48649
383 5TB5 GDP 6.48649
384 5XKT GNP 6.5
385 4HI0 GDP 6.53266
386 5IRN ADP 6.53846
387 4NON GDP 6.53846
388 2XT3 ADP 6.68605
389 5K5Z ANP 6.6879
390 1QF9 ADP 6.70103
391 1QF9 C5P 6.70103
392 1QF9 ALF 6.70103
393 1KK8 BEF ADP 6.73077
394 1B7T ADP 6.73077
395 1S8F GDP 6.77966
396 4LX0 BEF GDP 6.77966
397 2X7I CIT 6.81818
398 5XXS COA 6.81818
399 4U8P UDP 6.82261
400 2I6U CP 6.84039
401 5BQ5 ADP BEF 6.87831
402 5UQW GDP 6.87831
403 4NE2 ADP 6.88623
404 4NE2 SH2 6.88623
405 4AVB CMP 6.90691
406 5LTJ ADP 6.92308
407 1G7S GDP 6.92308
408 2XAU ADP 6.92308
409 3KTA AP5 6.93642
410 2EW1 GNP 6.96517
411 1CXZ GSP 6.97674
412 2GJ8 ALF GDP 6.97674
413 1XEX ATP 6.97674
414 5Z69 AGS 6.98925
415 4TMK T5A 7.04225
416 6F5W KG1 7.04607
417 5H7K GDP 7.0529
418 4D81 ADP 7.06714
419 3RAB GNP 7.10059
420 1U0J ADP 7.11611
421 1KY3 GDP 7.14286
422 1U8Z GDP 7.14286
423 1Z83 AP5 7.14286
424 4QOS ADP 7.16981
425 4HDO GNP 7.18563
426 3X1Z GNP 7.18563
427 4HDQ GNP 7.18563
428 3LN9 FLC 7.19424
429 4P4T GDP 7.22222
430 3Q72 GNP 7.22892
431 2XTN GTP 7.26496
432 3DOE GTP 7.27273
433 5HCN GCP 7.27969
434 5GQI ATP 7.28745
435 3Q9L ATP 7.30769
436 4CVN ADP 7.32984
437 2WCU FUC 7.38255
438 4C4P GNP 7.47664
439 1X6V ADP 7.5
440 6FA4 GNP 7.51445
441 3R7F CP 7.56579
442 2FH5 GTP 7.56757
443 1TX4 ALF GDP 7.57576
444 1SKQ GDP 7.58621
445 1TU3 GNP 7.59494
446 4K81 GTP 7.60234
447 5WDR GNP 7.60234
448 5G41 AP5 7.62332
449 1G16 GDP 7.64706
450 1JJ7 ADP 7.69231
451 3PQC GDP 7.69231
452 5O2T GSP 7.69231
453 4V0K GDP 7.69231
454 2ZX2 RAM 7.69231
455 2ORV 4TA 7.69231
456 5E95 GDP 7.7381
457 2BEK ATP 7.7821
458 6BVJ GNP 7.78443
459 6D55 GNP 7.78443
460 1LFD GNP 7.78443
461 6D5L GNP 7.78443
462 6BVM GNP 7.78443
463 6D5J GNP 7.78443
464 6BVK GNP 7.78443
465 6D56 GNP 7.78443
466 6BVL GNP 7.78443
467 6D5M GNP 7.78443
468 6D59 GNP 7.78443
469 6BVI GNP 7.78443
470 6D5H GNP 7.78443
471 6D5V GNP 7.78443
472 6D5G GNP 7.78443
473 6D5E GNP 7.78443
474 1NF3 GNP 7.8125
475 1WQ1 AF3 7.83133
476 1NVV GNP 7.83133
477 1WQ1 GDP 7.83133
478 3DDC GNP 7.83133
479 1XX6 ADP 7.8534
480 1X1R GDP 7.86517
481 1G6O ADP 7.87879
482 1Z6T ADP 7.88462
483 5KSP GDP 7.89474
484 4JLS 3ZE 7.89474
485 6CS8 F9Y 7.92079
486 6AIC AMP 7.94393
487 5XC5 GTP 7.95455
488 5L3R GCP 7.97342
489 6DZN AE3 7.98122
490 2CBZ ATP 8.01688
491 5M04 GDP 8.05556
492 5O74 GDP 8.12183
493 5L3W GDP 8.16993
494 4B5W PYR 8.20312
495 6BCB GSP 8.21918
496 4E03 ADP 8.25243
497 2JAQ DCP 8.29268
498 1RYH GNP 8.37438
499 1OFH ADP 8.3871
500 5G3Y ADP 8.40708
501 4RD0 GDP 8.43373
502 5IFS ADP 8.43882
503 2DPY ADP 8.44749
504 2QN6 GDP 8.45411
505 2C5L GTP 8.54701
506 4QRH 0O2 8.57143
507 3M1I GTP 8.6758
508 3WYF GTP 8.6758
509 3GJ8 GDP 8.69565
510 2XTZ GSP 8.75706
511 5VGR GDP 8.81671
512 5SZH GNP 8.86699
513 3DZD ADP 8.96739
514 2A9K GDP 8.96861
515 2WJG GDP 9.04255
516 3QXC ATP 9.09091
517 1S3G AP5 9.21659
518 1W4R TTP 9.23077
519 1Y63 ADP 9.23913
520 3A1S GDP 9.30233
521 6BC0 GSP 9.33333
522 1I4D GDP 9.375
523 1G41 ADP 9.45946
524 3Q85 GNP 9.46746
525 1M7G AV2 9.47867
526 1M7G ADP 9.47867
527 1M7G ADX 9.47867
528 5LLB 6YZ 9.5057
529 2X77 GDP 9.52381
530 3ZIA ATP 9.52381
531 3ZIA ADP 9.52381
532 1AKY AP5 9.54545
533 2UZI GTP 9.61539
534 1ZC3 GNP 9.73451
535 3AB3 GDP 9.7561
536 4TTQ ATP 9.76744
537 6CRK GDP 9.85915
538 1GP2 GDP 9.85915
539 1RJ9 GCP 9.86842
540 4P3Y GDP 9.89011
541 3BOS CDP 9.91736
542 2KIN ADP 10.084
543 1CR1 TTP 10.1351
544 3SBD GNP 10.1604
545 2HF9 GSP 10.177
546 6FS0 E4W 10.2326
547 2WJH GDP 10.241
548 2WJH FLC 10.241
549 3NKV GNP 10.2857
550 3W5J GDP 10.2941
551 1D2N ANP 10.2941
552 3AQ4 GDP 10.3261
553 5JCZ GDP 10.3275
554 1Z0A GDP 10.3448
555 4P83 U5P 10.4396
556 3WYG GTP 10.4396
557 1UPT GTP 10.5263
558 5EE5 GTP 10.5263
559 4GBM A3P 10.5263
560 1NRJ GTP 10.5505
561 2IYL GDP 10.5634
562 1L2T ATP 10.6383
563 2FNA ADP 10.6443
564 6BSX GDP 10.6742
565 6BSX E7S 10.6742
566 5L3V GDP 10.7023
567 3TKL GTP 10.7143
568 1DAK ADP 10.7143
569 1DAK DPU 10.7143
570 5L3S GNP 10.7383
571 5L3S G 10.7383
572 1WA5 GTP 10.7955
573 5KDO GDP 10.8108
574 4LHW GNP 10.9195
575 3QBT GNP 10.9195
576 3TNF GNP 10.9195
577 2ZFI ADP 10.929
578 1DS6 GDP 10.9375
579 3H86 AP5 10.9375
580 1E96 GTP 10.9375
581 1KHT AMP 10.9375
582 1GOT GDP 10.9589
583 4YLG GDP 10.9827
584 4PC3 GDP 10.9929
585 3T12 GDP ALF 11.0294
586 1ML4 PAL 11.039
587 3T5G GDP 11.0497
588 4NU0 AP5 11.0599
589 1UAD GNP 11.1111
590 3KUD GDP 11.1111
591 1GUA GNP 11.1111
592 6B4K ANP 11.1628
593 2W2X GSP 11.3514
594 1QHH ATP 11.3772
595 4YDS ATP 11.4035
596 3IUY AMP 11.4035
597 2VB6 ADP BEF 11.4094
598 5UIV ADP 11.4537
599 2NGR GDP 11.5183
600 1A4R GNH 11.5183
601 1GRN GDP 11.5183
602 1A4R GDP 11.5183
603 4ITR GDP 11.5183
604 1GRN AF3 11.5183
605 2NGR AF3 11.5183
606 1FQK ALF 11.5646
607 1FQJ ALF 11.5646
608 1FQJ GDP 11.5646
609 1FQK GDP 11.5646
610 2WMO GTP 11.5789
611 4ZI2 GNP 11.5789
612 1VG0 GDP 11.5942
613 4D0G GTP 11.5942
614 1VG8 GNP 11.5942
615 3SFV GDP 11.6022
616 4GOJ GNP 11.6402
617 1ZD9 GDP 11.7021
618 1NY5 ADP 11.8863
619 2A5F GTP 12
620 1F2U ATP 12.0805
621 4A4Z ANP 12.1154
622 2W83 GTP 12.1212
623 1FZQ GDP 12.1547
624 4YC7 GNP 12.1547
625 3N5C GDP 12.3457
626 5Y2W PGA 12.3932
627 4MKF AP5 12.4424
628 4YMU ATP 12.5
629 3WXM GTP 12.5
630 4OAS 2SW 12.5
631 1NN5 2DT 12.5581
632 1NN5 ANP 12.5581
633 2QG6 NMN 12.5628
634 5UWJ GNP 12.5874
635 5UWI GNP 12.5874
636 5UWU GNP 12.5874
637 5UWT GNP 12.5874
638 5UWO GNP 12.5874
639 6CIT GNP 12.5874
640 5UWW GNP 12.5874
641 5DHF GNP 12.5874
642 5UWH GNP 12.5874
643 5UWR GNP 12.5874
644 5UWQ GNP 12.5874
645 5UWS GNP 12.5874
646 5DI9 GNP 12.5874
647 5UWP GNP 12.5874
648 3GJX GTP 12.6923
649 3IIJ ADP 12.7778
650 4HAT GNP 12.8571
651 1VG1 GDP 12.973
652 1VG9 GDP 12.973
653 1Z0K GTP 13.0435
654 4KVG GTP 13.0952
655 1S7N COA 13.1868
656 4XTR ADP 13.3641
657 4XTR ATP 13.3641
658 4XVU ATP 13.3641
659 5YRL GLC GLC 13.3803
660 3PCR GTP 13.5802
661 4KAX GTP 13.6095
662 1KDO C 13.6564
663 4NSQ COA 13.6842
664 4U5X GNP 14.0449
665 2RGX AP5 14.0777
666 4MKG AP5 14.2857
667 1ZIN AP5 14.7465
668 4P86 5GP 14.7541
669 5W75 GDP 14.7959
670 2W58 ADP 14.8515
671 1ZUI SKM 14.881
672 2WIC GNP 14.9813
673 2D7D ADP 15
674 5H67 ATP 15.0754
675 4PSW COA 15.142
676 5LEF GTP 15.1515
677 3CH5 GDP 15.3846
678 3ZS9 ADP ALF 15.7895
679 1EK0 GNP 16.4706
680 2OM2 GDP 16.6667
681 1Z0J GTP 16.9492
682 2HV8 GTP 17.1875
683 5Z2M GTP 17.3913
684 2CDN ADP 17.4129
685 5OEC GDP 18.2741
686 4UXH T5A 18.4783
687 2OFW ADX 18.75
688 2HCJ GDP 18.9189
689 2D7C GTP 19.0476
690 2CK3 ANP 19.4853
691 1W0J ADP 19.4853
692 1W0J ADP BEF 19.4853
693 2CK3 ADP 19.4853
694 2V7Q ATP 19.697
695 2V7Q ADP 19.697
696 3VMF GTP 19.8391
697 2A5J GDP 19.8953
698 5IRC GDP 19.9005
699 5DI3 GNP 20.1521
700 3BC1 GNP 20.339
701 5WLB GNP 20.5882
702 5ZB0 TYD 20.7071
703 5ZB0 ADP 20.7071
704 5DIF GNP 21.0526
705 1Z2A GDP 21.4286
706 4OGQ 7PH 21.6216
707 2PEZ DAT 21.7877
708 2PEZ GGZ 21.7877
709 4BQS K2Q 22.7273
710 4BQS ADP 22.7273
711 1UJ2 C5P 23.0159
712 1UJ2 ADP 23.0159
713 4M9Q GNP 23.348
714 3GJ4 GDP 24.2424
715 1MR3 G3D 26.5193
716 1J2J GTP 28.3133
717 1O3Y GTP 28.3133
718 2J59 GTP 28.3133
719 1M2Z BOG 28.5714
720 1RE0 GDP 28.6585
721 1S9D GDP 28.6585
722 1R4A GNP 29.4118
723 4QM7 GTP 30.4094
724 3E5H GNP 32.0225
725 1ZJ6 G3D 32.0856
726 3UIE ANP 39
727 3QF7 ANP 50
Pocket No.: 4; Query (leader) PDB : 5AK0; Ligand: 8V1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5ak0.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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