-->
Receptor
PDB id Resolution Class Description Source Keywords
4EDF 2.08 Å EC: 1.1.1.22 DIMERIC HUGDH, K94E HOMO SAPIENS OLIGOMERIC STATE MOLECULAR SWITCH MEDIUM CHAIN DEHYDROGENAGLUCURONIDATION MDR ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR BINDING TRIGGERS A MOLECULAR SWITCH TO ALLOSTERICALLY ACTIVATE HUMAN UDP-{ALPHA}-D-GLUCOSE 6-DEHYDROGENASE. BIOCHEMISTRY V. 51 9364 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UPG A:501;
B:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 33 uM
566.302 C15 H24 N2 O17 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EDF 2.08 Å EC: 1.1.1.22 DIMERIC HUGDH, K94E HOMO SAPIENS OLIGOMERIC STATE MOLECULAR SWITCH MEDIUM CHAIN DEHYDROGENAGLUCURONIDATION MDR ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR BINDING TRIGGERS A MOLECULAR SWITCH TO ALLOSTERICALLY ACTIVATE HUMAN UDP-{ALPHA}-D-GLUCOSE 6-DEHYDROGENASE. BIOCHEMISTRY V. 51 9364 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2Q3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5TJH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 2QG4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3KHU - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
5 4EDF Kd = 33 uM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
6 3PTZ - UDX C14 H22 N2 O16 P2 C1[C@H]([C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2Q3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5TJH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 2QG4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3KHU - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
5 4EDF Kd = 33 uM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
6 3PTZ - UDX C14 H22 N2 O16 P2 C1[C@H]([C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Q3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5TJH - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 2QG4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3KHU - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
5 4EDF Kd = 33 uM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
6 3PTZ - UDX C14 H22 N2 O16 P2 C1[C@H]([C....
7 2Y0E - UGA C15 H22 N2 O18 P2 C1=CN(C(=O....
8 2Y0C - UGA C15 H22 N2 O18 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UPG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 GUD 1 1
2 GDU 1 1
3 UPG 1 1
4 UFM 1 1
5 USQ 0.8 0.846154
6 U2F 0.797619 0.943662
7 UPF 0.797619 0.943662
8 UFG 0.797619 0.943662
9 UD2 0.73913 0.985294
10 UD1 0.73913 0.985294
11 UGB 0.738636 0.985075
12 UGA 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UDX 0.715909 0.970588
15 UAD 0.715909 0.970588
16 UTP 0.7125 0.941176
17 IUG 0.693878 0.835443
18 G3N 0.692308 0.942857
19 C5G 0.688889 0.943662
20 660 0.681818 0.956522
21 URM 0.681818 0.956522
22 UPU 0.670588 0.970149
23 EPZ 0.650485 0.971014
24 3UC 0.648936 0.943662
25 UNP 0.647059 0.914286
26 EPU 0.644231 0.957143
27 EEB 0.644231 0.957143
28 U5P 0.641026 0.926471
29 U 0.641026 0.926471
30 UD7 0.636364 0.956522
31 HP7 0.636364 0.970588
32 2GW 0.632653 0.957143
33 MJZ 0.63 0.942857
34 F5G 0.623762 0.956522
35 UD4 0.623762 0.942857
36 F5P 0.623762 0.942857
37 UPP 0.615385 0.942029
38 UDH 0.615385 0.866667
39 UDZ 0.615385 0.88
40 UMA 0.598214 0.971014
41 44P 0.597561 0.901408
42 UDM 0.59596 0.942857
43 HWU 0.592233 0.929577
44 12V 0.592233 0.929577
45 1GW 0.590476 0.917808
46 2KH 0.586207 0.914286
47 Y6W 0.585106 0.916667
48 UDP UDP 0.576471 0.911765
49 U22 0.567797 0.8375
50 U20 0.567797 0.858974
51 U21 0.567797 0.858974
52 URI 0.552632 0.865672
53 CJB 0.551282 0.850746
54 UP5 0.527273 0.855263
55 UAG 0.523438 0.917808
56 2QR 0.520325 0.848101
57 DAU 0.519608 0.891892
58 UA3 0.511905 0.911765
59 U3P 0.511905 0.911765
60 CSV 0.504762 0.878378
61 CSQ 0.504762 0.878378
62 4TC 0.504425 0.833333
63 U U 0.5 0.927536
64 4RA 0.492308 0.857143
65 UD0 0.484848 0.846154
66 PUP 0.480392 0.887324
67 UML 0.478571 0.858974
68 U2P 0.476744 0.926471
69 CXY 0.471154 0.916667
70 GDD 0.463636 0.8
71 GKE 0.463636 0.8
72 GDC 0.463636 0.8
73 A U 0.461538 0.831169
74 HF4 0.447917 0.888889
75 CTP 0.447917 0.888889
76 CDP 0.446809 0.888889
77 ADQ 0.443396 0.828947
78 DKX 0.44186 0.774648
79 G U 0.441667 0.790123
80 U2S 0.43956 0.77027
81 UMF 0.438202 0.833333
82 U4S 0.433333 0.733333
83 DUT 0.43299 0.861111
84 U3S 0.423913 0.756757
85 5GW 0.421569 0.915493
86 DUD 0.421053 0.861111
87 5FU 0.417582 0.863014
88 C2G 0.417476 0.902778
89 UPA 0.416667 0.868421
90 U1S 0.415842 0.776316
91 7XL 0.415842 0.890411
92 U U U U 0.413462 0.913043
93 2TU 0.411765 0.777778
94 UTP U U U 0.409524 0.897059
95 139 0.406504 0.835443
96 APU 0.401639 0.831169
97 PMP UD1 0.40146 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EDF; Ligand: UPG; Similar sites found with APoc: 474
This union binding pocket(no: 1) in the query (biounit: 4edf.bio2) has 103 residues
No: Leader PDB Ligand Sequence Similarity
1 1LSS NAD None
2 1X87 NAD 1.21457
3 2WE0 UMP 1.3986
4 1PL6 NAD 1.40449
5 1PL6 572 1.40449
6 1PS9 NAP 1.417
7 5MQ6 NDP 1.417
8 1LJ8 NAD 1.41988
9 1M2W NAD 1.41988
10 1YKJ FAD 1.52284
11 3C1O NAP 1.55763
12 1F8G NAD 1.5625
13 4D3F NAP 1.6129
14 1GQ2 NAP 1.61943
15 2DKH FAD 1.61943
16 1SAY PYR 1.66205
17 2YVF NAD 1.71569
18 2YVF FAD 1.71569
19 5OCM NAP 1.71821
20 2DFV NAD 1.72911
21 4UP4 NAG 1.74564
22 4UP4 NDG 1.74564
23 4GKV NAD 1.78571
24 4E5N NAD 1.81818
25 3IHG FAD 1.82186
26 4YJ1 ADP 1.82186
27 4KTP BGC 1.82186
28 2NVK NAP 1.84426
29 3A06 NDP 1.8617
30 3A06 FOM 1.8617
31 1PGP 6PG 1.86722
32 1F06 2NP 1.875
33 1F06 NDP 1.875
34 1P0F NAP 1.87668
35 6F3N ADN 1.90678
36 6F3N NAD 1.90678
37 2DVZ GLU 1.91083
38 5CAE COA 1.91693
39 3GMB FAD 1.92771
40 6F3M NAD 1.95652
41 5FI3 NAP 1.96078
42 3AXB FAD 2.00893
43 4YAC NAI 2.0202
44 3GD4 NAD 2.02429
45 2QA1 FAD 2.02429
46 2B4R AES 2.02899
47 2B4R NAD 2.02899
48 2JL1 NAP 2.09059
49 2FZW NAD 2.14477
50 2F1K NAP 2.15054
51 2BGM NAJ 2.15827
52 2GZ3 NAP 2.18579
53 5J5Z FAD 2.22672
54 5VN0 NAI 2.22672
55 3QXY SAM 2.22717
56 1SC6 NAD 2.22772
57 5D4V SAH 2.23881
58 1EQ2 NAP 2.25806
59 1I36 NAP 2.27273
60 3LE7 ADE 2.29885
61 5H81 NAP 2.31362
62 2IZ1 ATR 2.32068
63 6C4M NAP 2.32068
64 2PV7 NAD 2.34899
65 1ZH8 NAP 2.35294
66 5YAP NAI 2.36842
67 5YAP 8S0 2.36842
68 1LC3 NAD 2.38095
69 5AOV NAP 2.38095
70 4MDH NAD 2.39521
71 2OI2 DP6 2.39726
72 5MDH NAD 2.4024
73 1V6A TRE 2.40964
74 1D1T NAD 2.41287
75 3TLC 7MD 2.42588
76 1GZ4 ATP 2.42915
77 1XHC FAD 2.42915
78 4K5S FAD 2.42915
79 6A3J NAI 2.43902
80 6A3J SOE 2.43902
81 1OMO NAD 2.48447
82 3FWN ATR 2.5
83 3FWN 6PG 2.5
84 1V8B NAD 2.50522
85 1P1C SAH 2.51256
86 1H0A I3P 2.53165
87 1P77 ATR 2.57353
88 1VL1 CIT 2.58621
89 5NM7 GLY 2.63158
90 4TXI FAD 2.63158
91 2BRY FAD 2.63158
92 3V1Y NAD 2.67062
93 1CF2 NAP 2.67062
94 1U3U BNF 2.6738
95 1U3U NAD 2.6738
96 4EMI NAD 2.68293
97 4Z0H NAD 2.69461
98 1B8U NAD 2.73556
99 2HJR APR 2.7439
100 1J5P NAD 2.7668
101 3E7S AT2 2.78422
102 1KJ8 GAR 2.8133
103 4D06 NAR 2.82686
104 4KVL PLM 2.83401
105 2VPN 4CS 2.8481
106 3TWO NDP 2.87356
107 5A1T NAI 2.93255
108 5A1T OXM 2.93255
109 3WBF API 2.95082
110 3WBF NAP 2.95082
111 5T9E NAP 2.95203
112 5T9F TYR 2.95203
113 5T9F NAP 2.95203
114 4L8V NAP 2.96736
115 1RM4 NDP 2.96736
116 1O6Z NAD 2.9703
117 3C7A NAD 2.9703
118 3KO0 TFP 2.9703
119 3L4S NAD 2.97619
120 3L4S 3PG 2.97619
121 1GR0 NAD 2.99728
122 5NUF NAD 3.01205
123 5NUE NAD 3.01205
124 1KOL NAD 3.01508
125 5N2I NAP 3.01724
126 3OND NAD 3.07377
127 3OND ADN 3.07377
128 4JK3 NAD 3.0888
129 5KVS NAP 3.11688
130 5KVS 6XR 3.11688
131 1X7D NAD 3.14286
132 1X7D ORN 3.14286
133 4TSK NDP 3.14286
134 3L9W AMP 3.1477
135 1WPQ NAD 3.15186
136 1MJT ITU 3.17003
137 5A96 GTP 3.21285
138 5EO8 TFU 3.21543
139 1WDK NAD 3.23887
140 5EES NAP 3.23887
141 5EVY FAD 3.23887
142 2C29 NAP 3.2641
143 5XVH NAP 3.26797
144 1Z82 NDP 3.28358
145 4XB2 NDP 3.28358
146 4XB2 HSE 3.28358
147 4OPC PGT 3.31126
148 4OPC FDA 3.31126
149 4IDC NDP 3.31325
150 4IDC 1XX 3.31325
151 2DT5 NAD 3.31754
152 5U8U FAD 3.3264
153 2GCG NDP 3.33333
154 4DPL NAP 3.34262
155 3Q3C NAD 3.34448
156 2BS3 CIT 3.34728
157 5Z21 NAI 3.35196
158 1BXK NAD 3.38028
159 1YS4 NAP 3.38983
160 3P48 DUP 3.40136
161 2NSX IFM 3.4413
162 1QMG APX 3.4413
163 3B1F NAD 3.44828
164 4CJX NAP 3.44828
165 4OOE FOM 3.46535
166 4OOE NDP 3.46535
167 3H9E NAD 3.46821
168 4RDH AMP 3.47222
169 4RDI ATP 3.47222
170 2GSD NAD 3.48259
171 1LLU NAD 3.50877
172 5A04 BGC 3.53982
173 5A04 NDP 3.53982
174 4XDY NAI 3.5503
175 2B6N ALA PRO THR 3.59712
176 4D79 ATP 3.62319
177 1DJN ADP 3.64372
178 3ORF NAD 3.64372
179 4C4A SAH 3.64372
180 2RAB NAD 3.67171
181 1C3V NDP 3.67347
182 1HDR NAD 3.68852
183 2A92 NAI 3.73832
184 1X14 NAD 3.74065
185 2CDU ADP 3.76106
186 2CDU FAD 3.76106
187 3ICS ADP 3.84615
188 3ICT ADP 3.84615
189 4J4H NAI 3.861
190 4J4H 1J1 3.861
191 3S5W NAP 3.88769
192 3S5W FAD 3.88769
193 1PJS NAD 3.93873
194 5JLB SAH 3.94265
195 2YGM GLA NAG GAL FUC 3.9548
196 6AA8 NAD 3.97351
197 3GFB NAD 4
198 5Y77 FAD 4.01691
199 4TQG NDP 4.02477
200 2NPX NAD 4.02685
201 3HAD NAD 4.04858
202 4JBI NDP 4.05405
203 5Z20 NAI 4.05797
204 5Z20 OXM 4.05797
205 1NVM NAD 4.05797
206 1NYT NAP 4.05904
207 5GLN XYP XYP XYP 4.06977
208 2YYY NAP 4.08163
209 2CDC NAP 4.09836
210 2CDC XYS 4.09836
211 2CDC XYP 4.09836
212 5TC4 NAD 4.11392
213 3WV8 ATP 4.12844
214 5VKT NAP 4.14365
215 1VQW FAD 4.15755
216 1LUA NAP 4.18118
217 4DE3 DN8 4.18251
218 1SQF SAM 4.1958
219 1UXG NAD 4.20712
220 1UXG FUM 4.20712
221 1BW9 NAD 4.21348
222 1BXG NAD 4.21348
223 1HDG NAD 4.21687
224 1C1X NAD 4.22535
225 6GAS FAD 4.22961
226 1PZG A3D 4.22961
227 2GVC FAD 4.25056
228 2GV8 FAD 4.25056
229 2GV8 NDP 4.25056
230 5GSN NAP 4.25101
231 4F97 GDP 4.25101
232 5GSN FAD 4.25101
233 1SOW NAD 4.26829
234 2CVQ NDP 4.28135
235 4KQW NAP 4.28571
236 1I9G SAM 4.28571
237 5E4R NAP 4.28571
238 4B4U NAP 4.29043
239 2NXE SAM 4.33071
240 5X68 FAD 4.34783
241 3NGL NAP 4.34783
242 3NJ4 NAD 4.36782
243 3NJ4 AFX 4.36782
244 4P86 5GP 4.37158
245 1V59 NAD 4.39331
246 4ZGS NAD 4.40415
247 5U5G NAP 4.40678
248 5U5G 7VD 4.40678
249 5BRT FAD 4.45344
250 5LD5 NAD 4.46927
251 1SSQ CYS 4.49438
252 9LDB NAD 4.51807
253 9LDT NAD 4.51807
254 4ZVV NAD 4.51807
255 4ZVV GN0 4.51807
256 1E3I CXF 4.52128
257 4PLT NAI 4.53172
258 4PLT OXM 4.53172
259 5LKC FUC GLA A2G 4.54545
260 2AG8 NAP 4.56274
261 2BZ1 TAU 4.59184
262 5M67 ADE 4.5929
263 5M67 NAD 4.5929
264 5M67 3D1 4.5929
265 1R37 NAD 4.61095
266 5TUF FAD 4.64548
267 2ZJ1 NAD 4.65587
268 2ZJ1 ARJ 4.65587
269 2DC1 NAD 4.66102
270 1Y1P NMN AMP PO4 4.67836
271 3ULK NDP 4.68432
272 5W3K 9TY 4.70588
273 5W3K NDP 4.70588
274 3HRD NIO 4.72973
275 3CIF NAD 4.73538
276 3CIF G3H 4.73538
277 5O4J PJL 4.74453
278 5O4J 9KH 4.74453
279 5O4J SAH 4.74453
280 3SBZ MLI 4.7619
281 6CEP NAD 4.79042
282 6CEP OXM 4.79042
283 2DBZ NAP 4.79042
284 6BII NAP 4.8048
285 4Y9D NAI 4.91803
286 5ZI2 ADP 4.92754
287 5ZI2 NAD 4.92754
288 1VI2 NAD 5
289 2O4C NAD 5
290 3OA2 NAD 5.03145
291 5HV7 RBL 5.04587
292 5BSH PRO 5.05415
293 4BVA NDP 5.07463
294 3KB6 NAD 5.08982
295 4O0L NDP 5.09091
296 2GLX NDP 5.12048
297 6C4N NAP 5.12249
298 2Q0L NAP 5.14469
299 1NPD NAD 5.20833
300 2HFN FMN 5.22876
301 1O0S NAI 5.26316
302 2H8H H8H 5.26316
303 5Z2F NAP 5.28302
304 3WMX NAD 5.30726
305 5UC9 MYR 5.30973
306 1A5Z NAD 5.32915
307 1ZEM NAD 5.34351
308 4PLG OXM 5.38922
309 4PLG NAI 5.38922
310 1J0X NAD 5.42169
311 2YVJ NAI 5.50459
312 2D2I NAP 5.52632
313 6FLZ MMA 5.55556
314 3OFK SAH 5.55556
315 2NAD NAD 5.59796
316 1K4M CIT 5.6338
317 1P31 EPU 5.68421
318 2VYN NAD 5.68862
319 5OJL TXP 5.7047
320 3BAZ NAP 5.70571
321 1SAZ ACP 5.77428
322 2Y6Q FAD 5.77889
323 2AHR NAP 5.79151
324 3VPH NAD 5.80645
325 3VPH OXM 5.80645
326 3FPZ AHZ 5.82822
327 4OBW SAM 5.83658
328 4YT4 FE9 5.86667
329 2NU8 COA 5.90278
330 6C4T NA7 6
331 1DSS NAD 6.00601
332 1LDN NAD 6.01266
333 2G5C NAD 6.04982
334 3GGO ENO 6.05096
335 3GGO NAI 6.05096
336 2YY7 NAD 6.08974
337 5U5N NAD 6.09319
338 4XDZ NDP 6.12245
339 5KMS NAD 6.17284
340 3B20 NAD 6.19469
341 6AIN FAD 6.2201
342 2PK3 A2R 6.23053
343 1YKF NAP 6.25
344 1KEV NDP 6.26781
345 3ABI NAD 6.30137
346 3EGI ADP 6.31068
347 5N6C NAD 6.33333
348 2VOH CIT 6.36943
349 5Z75 NAD 6.42202
350 3K5I AIR 6.45161
351 3WLE NAD 6.45161
352 4YCA NDP 6.46258
353 1TB4 PEJ 6.469
354 3ETG NDP 6.47773
355 1J49 NAD 6.60661
356 1YRX FMN 6.61157
357 5I39 FAD 6.61765
358 4XYB NDP 6.64962
359 4FGC PQ0 6.66667
360 1GAD NAD 6.66667
361 1LDM NAD 6.68693
362 3EWP APR 6.77966
363 4MP8 NAD 6.78466
364 4MP8 MLI 6.78466
365 1HYH NAD 6.79612
366 6GAR FAD 6.87679
367 2OOR NAD 6.89655
368 5JE8 NAD 6.95364
369 1HKU NAD 6.98324
370 1VJT NAD 7.03934
371 3RFV 15L 7.11611
372 3RFV NAI 7.11611
373 4URG C2E 7.18563
374 5ZZ6 ADP 7.21154
375 5ZZ6 NAD 7.21154
376 1EBF NAD 7.26257
377 1ZQ9 SAM 7.36842
378 4CQM NAP 7.37705
379 2QIE 8CS 7.43243
380 5YU3 NAD 7.55814
381 5YU3 PRO 7.55814
382 4JJF FE9 7.55814
383 4JJF N2I 7.55814
384 5GUD NDP 7.64331
385 5UAV TFB 7.76398
386 5UAV NDP 7.76398
387 1H2B NAJ 7.79944
388 1YJQ NAP 7.92079
389 3H5N ATP 7.93201
390 1WP4 NDP 7.95848
391 2IXB NAD 8.10811
392 6A0S NDP 8.13253
393 6A0S HSE 8.13253
394 1NM5 NAD 8.37438
395 3GRU AMP 8.50202
396 3CGD NAD 8.54167
397 3CGD FAD 8.54167
398 3CGD COA 8.54167
399 1E6E FAD 8.59375
400 5KKA 6V0 8.65385
401 1CER NAD 8.76133
402 4XZ3 COA 8.83621
403 1VL0 NAI 8.90411
404 1SQL GUN 8.90411
405 3LZW FAD 9.03614
406 1DIG NAP 9.15033
407 4UP3 NDP 9.23567
408 4KOA NDP 9.30931
409 1CDO NAD 9.35829
410 2W14 WR2 9.40594
411 1JAY NAP 9.43396
412 5EZ7 FAD 9.43878
413 2NZ5 226 9.4431
414 5X20 NAD 9.61539
415 4II2 ATP 9.63855
416 5N53 8NB 9.74359
417 1UP7 NAD 9.83213
418 3WUR O4B 9.94152
419 3QH2 3NM 9.95475
420 2VHW NAI 10.0796
421 2VT3 ATP 10.2326
422 1EZ4 NAD 10.3774
423 1OBB NAD 10.4167
424 5L4L NAP 10.5263
425 1KYQ NAD 10.5839
426 1N1G BCP 10.6557
427 5DN9 NAD 10.7143
428 5AYV NAP 11.0032
429 5AYV KPL 11.0032
430 5GZ6 NDP 11.0429
431 5GZ6 7C3 11.0429
432 5G4L NDP 11.1888
433 3DAG FEG 11.4525
434 5UR0 NAD 11.4613
435 1NVT NAP 11.4983
436 1GUZ NAD 11.6129
437 1GV0 NAD 11.6129
438 1RP0 AHZ 11.6197
439 3H8V ATP 11.9863
440 1DRV A3D 12.0879
441 1F8F NAD 12.1294
442 2EV9 NAP 12.1673
443 2EV9 SKM 12.1673
444 1O94 ADP 12.1875
445 4RQU NAD 12.2667
446 1VM6 NAD 12.2807
447 4OM8 NAD 12.2977
448 2FKA BEF 12.4031
449 4RJD TFP 13.6364
450 5L95 AMP 13.75
451 4E13 NAD 14.1343
452 5Y8L NAD 14.2373
453 5Y8L HUI 14.2373
454 2CVZ NDP 14.5329
455 1FWV SGA MAG FUC 14.9254
456 2HMT NAI 15.2778
457 5EIN NAP 16.6667
458 3QV1 NAD 18.2927
459 1LVL NAD 18.7773
460 1HYE NAP 19.1693
461 4R5M NAP 19.4149
462 4R5M 4NO 19.4149
463 43CA NPO 22.1239
464 3R51 MMA 22.5
465 2HK9 ATR 22.5455
466 2HK9 NAP 22.5455
467 5YEC ATP 26.0504
468 1LTH NAD 26.9592
469 3B1J NAD 28
470 1MUU GDX 38.7615
471 1MUU NAD 38.7615
472 1MV8 GDX 39.2202
473 1MV8 NAD 39.2202
474 3OJO NAD 43.8515
Pocket No.: 2; Query (leader) PDB : 4EDF; Ligand: UPG; Similar sites found with APoc: 41
This union binding pocket(no: 2) in the query (biounit: 4edf.bio2) has 104 residues
No: Leader PDB Ligand Sequence Similarity
1 5EOW FAD 1.7284
2 6CEN SAM 1.75439
3 5CAE SIN 1.91693
4 1W8D NAP 1.98676
5 1W6U NAP 1.98676
6 4FN4 NAD 2.75591
7 3M6W SAM 2.80172
8 1JTU LYB 3.0303
9 1YQD NAP 3.03644
10 2QRK AMP 3.29949
11 1T26 NAI 3.72671
12 1T26 GBD 3.72671
13 1E5Q NDP 3.77778
14 2GQS ADP 3.79747
15 4B7X NAP 3.86905
16 2RGJ FAD 4.47761
17 2B5W NAP 4.7619
18 5CX8 3DO 4.7817
19 5OMY 9YE 4.85933
20 5X9D 80F 4.93421
21 4BVA T3 5.07463
22 3PTG 932 5.23416
23 1K3T BRZ 5.29248
24 3N71 SFG 5.30612
25 3AB1 FAD 5.55556
26 3KLJ FAD 5.71429
27 4W6Z 8ID 5.76369
28 3JUC PCA 5.88235
29 3ETG GLU 6.47773
30 1U1I NAD 6.63265
31 3AD8 NAD 6.88259
32 2Q1S NAI 6.89655
33 1R0X ATP 6.99301
34 1LVW TYD 7.11864
35 2I3G NAP 7.67045
36 3JQM GTP 8.28025
37 4JLS 3ZE 8.55263
38 3KP6 SAL 9.93377
39 1YB5 NAP 12.2507
40 5FUW THM 12.6374
41 5ODQ FAD 12.8571
Pocket No.: 3; Query (leader) PDB : 4EDF; Ligand: UPG; Similar sites found with APoc: 100
This union binding pocket(no: 3) in the query (biounit: 4edf.bio1) has 103 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZCC FAD 1.4881
2 5MZI FYK 1.51844
3 5MZI FAD 1.51844
4 5G6U TRP 1.53257
5 1L7E NAI 1.5625
6 2EJU SAH 1.5873
7 2DKH 3HB 1.61943
8 3CB2 GDP 1.68421
9 6FHO FAD 1.75439
10 5DNK SAH 1.82186
11 4D7E FAD 1.8648
12 2IVD FAD 1.88285
13 1H82 GZZ 1.90678
14 1H82 FAD 1.90678
15 5NII FAD 1.94175
16 2X6T NAP 1.96078
17 1W73 NAP 1.98676
18 3AXB PRO 2.00893
19 3VSE SAH 2.01005
20 5WP5 SAH 2.03666
21 6EL3 NAP 2.09974
22 3RNM FAD 2.22672
23 6F7L FAD 2.26244
24 3RKR NAP 2.29008
25 2FR1 NDP 2.46914
26 4USQ FAD 2.49307
27 4USR FAD 2.49307
28 4X9M FAD 2.63158
29 1REO FAD 2.6749
30 4MO2 FDA 2.71739
31 4MO2 FAD 2.71739
32 3FG2 FAD 2.72277
33 4FZV SAM 2.78552
34 1L1E SAH 2.78746
35 1ZL9 GSH 2.89855
36 2BOS GLA GAL GLC NBU 2.94118
37 5AHO TLA 2.97619
38 4CNK FAD 3.06905
39 5TUK FAD 3.18627
40 3QJ4 FAD 3.21637
41 1EU1 GLC 3.23887
42 1UAY ADN 3.30579
43 3FPF TNA 3.3557
44 3FPF MTA 3.3557
45 4RSL FAD 3.37079
46 4M37 SAH 3.49854
47 4M38 SAH 3.49854
48 4JDR FAD 3.5865
49 1GPM AMP 3.64372
50 4REP FAD 3.64372
51 1JQ3 AAT 3.71622
52 3PT9 SAH 3.84615
53 3ICR FAD 3.84615
54 3ICS FAD 3.84615
55 2ZXI FAD 3.84615
56 3ICT FAD 3.84615
57 5NMX FAD 4
58 3G2O SAM 4.01338
59 3GEG NAD 4.04858
60 2RGO FAD 4.04858
61 3G2Y GF4 4.18251
62 4J36 FAD 4.33735
63 4HXY NDP 4.3379
64 5F7J ADE 4.375
65 1EJ0 SAM 4.44444
66 1JG3 ADN 4.68085
67 5LOG SAH 4.72103
68 2YX1 SFG 4.7619
69 2AOT SAH 4.79452
70 5XNC MTA 4.85175
71 3T64 DU3 4.97238
72 3FZG SAM 5
73 3DXY SAM 5.04587
74 6F9Q NAD 5.14706
75 5G3U FDA 5.43735
76 1Y8Q ATP 5.49133
77 4EIP FAD 5.87045
78 5KOX RFP 5.88235
79 1I8T FAD 5.99455
80 3G89 SAM 6.4257
81 3SSO SAH 6.44391
82 3CBG SAH 6.46552
83 1RJW ETF 6.48968
84 2GAG NAD 7.07071
85 5JCM NAD 7.09534
86 5JCM ISD 7.09534
87 5J60 FAD 7.1875
88 4RL4 PPV 7.54717
89 4POO SAM 8
90 2Q7V FAD 8
91 2IXB A2G 8.10811
92 1N2X SAM 8.30565
93 2HNK SAH 8.3682
94 5OFW 9TW 8.52018
95 3FUU ADN 8.85609
96 5KVA SAM 9.71223
97 2CUL FAD 9.91379
98 2JHP SAH 9.91903
99 3FGZ BEF 10.1562
100 1XXA ARG 10.2564
Pocket No.: 4; Query (leader) PDB : 4EDF; Ligand: UPG; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 4edf.bio1) has 104 residues
No: Leader PDB Ligand Sequence Similarity
1 5OKU 0L1 6.58683
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